methyl 2-[[4-butyl-5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-oxidanylidene-pyrimidin-1-yl]methyl]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-butyl-5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-oxidanylidene-pyrimidin-1-yl]methyl]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-butyl-5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-oxo-pyrimidin-1-yl]methyl]thiophene-3-carboxylate CAS Name: 2-[[4-butyl-5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-oxo-1-pyrimidinyl]methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-butyl-5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-oxopyrimidin-1-yl]methyl]thiophene-3-carboxylate Traditional Name: 2-[[4-butyl-5-[4-(2-cyanophenyl)benzyl]-6-keto-2-methyl-pyrimidin-1-yl]methyl]thiophene-3-carboxylic acid methyl ester Formula: C30H29N3O3S MolecularWeight: 511.63456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(C(=N1)C)CC2=C(C=CS2)C(=O)OC)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCC1=C(C(=O)N(C(=N1)C)CC2=C(C=CS2)C(=O)OC)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C30H29N3O3S/c1-4-5-10-27-26(17-21-11-13-22(14-12-21)24-9-7-6-8-23(24)18-31)29(34)33(20(2)32-27)19-28-25(15-16-37-28)30(35)36-3/h6-9,11-16H,4-5,10,17,19H2,1-3H3