7ME

(7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

Created:	2011-04-07
Last modified:	2011-06-04

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1 entries where 7ME is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	6

2D diagram of 7ME

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Chemical Component Summary
Name	(7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Systematic Name (OpenEye OEToolkits)	(7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Formula	C₉ H₁₄ N₄
Molecular Weight	178.234
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c2c(c(nc1N)N)CCC(C2)C
SMILES	CACTVS	3.370	C[CH]1CCc2c(N)nc(N)nc2C1
SMILES	OpenEye OEToolkits	1.7.0	CC1CCc2c(nc(nc2N)N)C1
Canonical SMILES	CACTVS	3.370	C[C@H]1CCc2c(N)nc(N)nc2C1
Canonical SMILES	OpenEye OEToolkits	1.7.0	C[C@H]1CCc2c(nc(nc2N)N)C1
InChI	InChI	1.03	InChI=1S/C9H14N4/c1-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h5H,2-4H2,1H3,(H4,10,11,12,13)/t5-/m0/s1
InChIKey	InChI	1.03	GXOHKQZNOVLQOK-YFKPBYRVSA-N

Related Resource References

Resource Name	Reference
PubChem	54765326

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