ethyl 6-(4-tert-butylphenyl)-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-tert-butylphenyl)-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-tert-butylphenyl)-3-ethyl-2-oxo-4-[[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-tert-butylphenyl)-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-tert-butylphenyl)-3-ethyl-2-oxo-4-[[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-tert-butylphenyl)-3-ethyl-2-keto-4-[[4-(2-thenoyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C30H40N4O4S MolecularWeight: 552.728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N4O4S/c1-6-34-23(20-32-15-9-16-33(18-17-32)27(35)24-10-8-19-39-24)25(28(36)38-7-2)26(31-29(34)37)21-11-13-22(14-12-21)30(3,4)5/h8,10-14,19,26H,6-7,9,15-18,20H2,1-5H3,(H,31,37)