9OF

8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine

Created:	2018-06-14
Last modified:	2018-10-03

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1 entries where 9OF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	12

2D diagram of 9OF

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Chemical Component Summary
Name	8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine
Systematic Name (OpenEye OEToolkits)	8-methoxy-5,5-dimethyl-6~{H}-benzo[h]quinazolin-4-amine
Formula	C₁₅ H₁₇ N₃ O
Molecular Weight	255.315
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c23c(c1ccc(cc1CC2(C)C)OC)ncnc3N
SMILES	CACTVS	3.385	COc1ccc2c(CC(C)(C)c3c(N)ncnc23)c1
SMILES	OpenEye OEToolkits	2.0.6	CC1(Cc2cc(ccc2-c3c1c(ncn3)N)OC)C
Canonical SMILES	CACTVS	3.385	COc1ccc2c(CC(C)(C)c3c(N)ncnc23)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC1(Cc2cc(ccc2-c3c1c(ncn3)N)OC)C
InChI	InChI	1.03	InChI=1S/C15H17N3O/c1-15(2)7-9-6-10(19-3)4-5-11(9)13-12(15)14(16)18-8-17-13/h4-6,8H,7H2,1-3H3,(H2,16,17,18)
InChIKey	InChI	1.03	JWHJIHHTDSIYQK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	134817498

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