methyl 5-azanyl-2-oxidanylidene-4-sulfanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: methyl 5-azanyl-2-oxidanylidene-4-sulfanylidene-1H-pyrimidine-6-carboxylate Openeye Name: methyl 5-amino-2-oxo-4-thioxo-1H-pyrimidine-6-carboxylate CAS Name: 5-amino-2-oxo-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-amino-2-oxo-4-sulfanylidene-1H-pyrimidine-6-carboxylate Traditional Name: 5-amino-2-keto-4-thioxo-1H-pyrimidine-6-carboxylic acid methyl ester Formula: C6H7N3O3S MolecularWeight: 201.20308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=S)NC(=O)N1)N

Isomeric SMILES

COC(=O)C1=C(C(=S)NC(=O)N1)N

InChI

InChI=1S/C6H7N3O3S/c1-12-5(10)3-2(7)4(13)9-6(11)8-3/h7H2,1H3,(H2,8,9,11,13)