propan-2-yl 3-butyl-4-methyl-6-[3-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3-butyl-4-methyl-6-[3-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-butyl-4-methyl-6-[3-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-4-methyl-6-[3-[[[4-(methylthio)anilino]-oxomethyl]amino]phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-butyl-4-methyl-6-[3-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-methyl-6-[3-[[4-(methylthio)phenyl]carbamoylamino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)SC)C(=O)OC(C)C)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)SC)C(=O)OC(C)C)C

InChI

InChI=1S/C27H34N4O4S/c1-6-7-15-31-18(4)23(25(32)35-17(2)3)24(30-27(31)34)19-9-8-10-21(16-19)29-26(33)28-20-11-13-22(36-5)14-12-20/h8-14,16-17,24H,6-7,15H2,1-5H3,(H,30,34)(H2,28,29,33)