I3V

5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione

Created:	2022-02-10
Last modified:	2022-08-22

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1 entries where I3V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	0

2D diagram of I3V

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Chemical Component Summary
Name	5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione
Systematic Name (OpenEye OEToolkits)	5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione
Formula	C₅ H₇ N₃ O₂
Molecular Weight	141.128
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1=C(N)C(=O)NC(=O)N1
SMILES	OpenEye OEToolkits	2.0.7	CC1=C(C(=O)NC(=O)N1)N
Canonical SMILES	CACTVS	3.385	CC1=C(N)C(=O)NC(=O)N1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC1=C(C(=O)NC(=O)N1)N
InChI	InChI	1.06	InChI=1S/C5H7N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H2,1H3,(H2,7,8,9,10)
InChIKey	InChI	1.06	FNSSATCDUXTALE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	80453

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.