methyl (4S)-6-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-(2,5-dimethylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-6-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-(2,5-dimethylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-(2,5-dimethylphenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C17H19N5O3S2 MolecularWeight: 405.49446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CSC3=NN=C(S3)N)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H]2C(=C(NC(=O)N2)CSC3=NN=C(S3)N)C(=O)OC

InChI

InChI=1S/C17H19N5O3S2/c1-8-4-5-9(2)10(6-8)13-12(14(23)25-3)11(19-16(24)20-13)7-26-17-22-21-15(18)27-17/h4-6,13H,7H2,1-3H3,(H2,18,21)(H2,19,20,24)/t13-/m0/s1