2-methylsulfanylpropyl 4-azanyl-2-oxidanylidene-pyrimidine-1-carboxylate

Systemtic Name: 2-methylsulfanylpropyl 4-azanyl-2-oxidanylidene-pyrimidine-1-carboxylate Openeye Name: 2-methylsulfanylpropyl 4-amino-2-oxo-pyrimidine-1-carboxylate CAS Name: 4-amino-2-oxo-1-pyrimidinecarboxylic acid 2-(methylthio)propyl ester IUPAC Name: 2-methylsulfanylpropyl 4-amino-2-oxopyrimidine-1-carboxylate Traditional Name: 4-amino-2-keto-pyrimidine-1-carboxylic acid 2-(methylthio)propyl ester Formula: C9H13N3O3S MolecularWeight: 243.28282

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1C=CC(=NC1=O)N)SC

Isomeric SMILES

CC(COC(=O)N1C=CC(=NC1=O)N)SC

InChI

InChI=1S/C9H13N3O3S/c1-6(16-2)5-15-9(14)12-4-3-7(10)11-8(12)13/h3-4,6H,5H2,1-2H3,(H2,10,11,13)