ethyl 6-(4-chlorophenyl)-3-ethyl-2-oxidanylidene-4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(4-chlorophenyl)-3-ethyl-2-oxidanylidene-4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-chlorophenyl)-3-ethyl-2-oxo-4-[[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chlorophenyl)-3-ethyl-2-oxo-4-[[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-chlorophenyl)-3-ethyl-2-oxo-4-[[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-chlorophenyl)-3-ethyl-2-keto-4-[[4-(2-thenoyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H31ClN4O4S MolecularWeight: 531.06674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)Cl)C(=O)OCC)CN3CCCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)Cl)C(=O)OCC)CN3CCCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H31ClN4O4S/c1-3-31-20(17-29-12-6-13-30(15-14-29)24(32)21-7-5-16-36-21)22(25(33)35-4-2)23(28-26(31)34)18-8-10-19(27)11-9-18/h5,7-11,16,23H,3-4,6,12-15,17H2,1-2H3,(H,28,34)