methyl 3-butyl-4-methyl-2-oxidanylidene-6-[3-(2-phenylsulfanylethanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-butyl-4-methyl-2-oxidanylidene-6-[3-(2-phenylsulfanylethanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-butyl-4-methyl-2-oxo-6-[3-[(2-phenylsulfanylacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-4-methyl-2-oxo-6-[3-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-methyl-2-oxo-6-[3-[(2-phenylsulfanylacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-methyl-6-[3-[[2-(phenylthio)acetyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CSC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CSC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C25H29N3O4S/c1-4-5-14-28-17(2)22(24(30)32-3)23(27-25(28)31)18-10-9-11-19(15-18)26-21(29)16-33-20-12-7-6-8-13-20/h6-13,15,23H,4-5,14,16H2,1-3H3,(H,26,29)(H,27,31)