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

Systemtic Name: propan-2-yl 3-(4-cyanophenyl)-4-methyl-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-(4-cyanophenyl)-4-methyl-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(4-cyanophenyl)-4-methyl-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-cyanophenyl)-4-methyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(4-cyanophenyl)-2-keto-4-methyl-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C2=CC=C(C=C2)C#N)C3=CSC=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1C2=CC=C(C=C2)C#N)C3=CSC=C3)C(=O)OC(C)C

InChI

InChI=1S/C20H19N3O3S/c1-12(2)26-19(24)17-13(3)23(16-6-4-14(10-21)5-7-16)20(25)22-18(17)15-8-9-27-11-15/h4-9,11-12,18H,1-3H3,(H,22,25)