ethyl 6-(4-chlorophenyl)-3-methyl-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-methyl-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-methyl-2-oxo-4-[[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chlorophenyl)-3-methyl-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-methyl-2-oxo-4-[[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-chlorophenyl)-2-keto-3-methyl-4-[[4-(2-thenoyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H29ClN4O4S MolecularWeight: 517.04016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Cl)C)CN3CCCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Cl)C)CN3CCCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H29ClN4O4S/c1-3-34-24(32)21-19(28(2)25(33)27-22(21)17-7-9-18(26)10-8-17)16-29-11-5-12-30(14-13-29)23(31)20-6-4-15-35-20/h4,6-10,15,22H,3,5,11-14,16H2,1-2H3,(H,27,33)