7VJ

2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one

Created:	2016-12-08
Last modified:	2021-03-01

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1 entries where 7VJ is found as a standalone ligand

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

2D diagram of 7VJ

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Chemical Component Summary
Name	2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one
Synonyms	6-METHYLAMINO-5-NITROSOISOCYTOSINE
Systematic Name (OpenEye OEToolkits)	2-azanyl-4-(methylamino)-5-nitroso-1~{H}-pyrimidin-6-one
Formula	C₅ H₇ N₅ O₂
Molecular Weight	169.141
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(=O)C1=C(N=C(N)NC1=O)NC
SMILES	CACTVS	3.385	CNC1=C(N=O)C(=O)NC(=N1)N
SMILES	OpenEye OEToolkits	2.0.6	CNC1=C(C(=O)NC(=N1)N)N=O
Canonical SMILES	CACTVS	3.385	CNC1=C(N=O)C(=O)NC(=N1)N
Canonical SMILES	OpenEye OEToolkits	2.0.6	CNC1=C(C(=O)NC(=N1)N)N=O
InChI	InChI	1.03	InChI=1S/C5H7N5O2/c1-7-3-2(10-12)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11)
InChIKey	InChI	1.03	ISOZZGJCVBHMSM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	298670, 135429858
ChEMBL	CHEMBL55866

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