M6N

2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one

Created:	2019-10-03
Last modified:	2020-03-04

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1 entries where M6N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of M6N

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Chemical Component Summary
Name	2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one
Systematic Name (OpenEye OEToolkits)	2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one
Formula	C₈ H₇ N₃ O
Molecular Weight	161.161
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1=Nc2cnccc2C(=O)N1
SMILES	OpenEye OEToolkits	2.0.7	CC1=Nc2cnccc2C(=O)N1
Canonical SMILES	CACTVS	3.385	CC1=Nc2cnccc2C(=O)N1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC1=Nc2cnccc2C(=O)N1
InChI	InChI	1.03	InChI=1S/C8H7N3O/c1-5-10-7-4-9-3-2-6(7)8(12)11-5/h2-4H,1H3,(H,10,11,12)
InChIKey	InChI	1.03	ZZGGQKRBGZEHKC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13586345, 135624378

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.