propan-2-yl 6-(3-cyanophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 6-(3-cyanophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-(3-cyanophenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-cyanophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-(3-cyanophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-cyanophenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC=CC(=C3)C#N)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C2CC2)C3=CC=CC(=C3)C#N)C(=O)OC(C)C

InChI

InChI=1S/C19H21N3O2S/c1-11(2)24-18(23)16-12(3)22(15-7-8-15)19(25)21-17(16)14-6-4-5-13(9-14)10-20/h4-6,9,11,15,17H,7-8H2,1-3H3,(H,21,25)