835

(3S)-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione

Created:	2021-09-29
Last modified:	2022-08-22

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1 entries where 835 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	6

2D diagram of 835

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Chemical Component Summary
Name	(3S)-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione
Synonyms	(3S)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
Systematic Name (OpenEye OEToolkits)	(3~{S})-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione
Formula	C₁₄ H₁₄ N₄ O₃
Molecular Weight	286.286
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1=Nc2cccc(N)c2C(=O)N1[CH]3CCC(=O)NC3=O
SMILES	OpenEye OEToolkits	2.0.7	CC1=Nc2cccc(c2C(=O)N1C3CCC(=O)NC3=O)N
Canonical SMILES	CACTVS	3.385	CC1=Nc2cccc(N)c2C(=O)N1[C@H]3CCC(=O)NC3=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC1=Nc2cccc(c2C(=O)N1[C@H]3CCC(=O)NC3=O)N
InChI	InChI	1.06	InChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)/t10-/m0/s1
InChIKey	InChI	1.06	RSNPAKAFCAAMBH-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
PubChem	24967954

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.