methyl 4-oxidanylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl 4-oxidanylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl 4-oxo-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-oxo-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-keto-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=S)NC1=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1C(NC(=S)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O3S/c1-17-11(16)8-9(7-5-3-2-4-6-7)13-12(18)14-10(8)15/h2-6,8-9H,1H3,(H2,13,14,15,18)