methyl 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-keto-3-methyl-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C16H17N5O3S2 MolecularWeight: 391.46788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OC)CSC3=NN=C(S3)N

Isomeric SMILES

CN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OC)CSC3=NN=C(S3)N

InChI

InChI=1S/C16H17N5O3S2/c1-21-10(8-25-16-20-19-14(17)26-16)11(13(22)24-2)12(18-15(21)23)9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3,(H2,17,19)(H,18,23)