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

Systemtic Name: ethyl 3-ethyl-2-oxidanylidene-4-[[4-(phenylsulfonyl)-1,4-diazepan-1-yl]methyl]-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(benzenesulfonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-(benzenesulfonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(benzenesulfonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-besyl-1,4-diazepan-1-yl)methyl]-3-ethyl-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H32N4O5S2 MolecularWeight: 532.67538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O5S2/c1-3-29-21(22(24(30)34-4-2)23(26-25(29)31)19-11-16-35-18-19)17-27-12-8-13-28(15-14-27)36(32,33)20-9-6-5-7-10-20/h5-7,9-11,16,18,23H,3-4,8,12-15,17H2,1-2H3,(H,26,31)