propan-2-yl 3,4-dimethyl-6-[3-(3-methylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3,4-dimethyl-6-[3-(3-methylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3,4-dimethyl-6-[3-(3-methylbutanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[(3-methyl-1-oxobutyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3,4-dimethyl-6-[3-(3-methylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(isovalerylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)CC(C)C)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)CC(C)C)C(=O)OC(C)C

InChI

InChI=1S/C21H29N3O3S/c1-12(2)10-17(25)22-16-9-7-8-15(11-16)19-18(20(26)27-13(3)4)14(5)24(6)21(28)23-19/h7-9,11-13,19H,10H2,1-6H3,(H,22,25)(H,23,28)