ethyl 6-(3-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(3-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H29ClN4O3 MolecularWeight: 420.93296

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)Cl)C(=O)OCC)CN3CCCNCC3

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)Cl)C(=O)OCC)CN3CCCNCC3

InChI

InChI=1S/C21H29ClN4O3/c1-3-26-17(14-25-11-6-9-23-10-12-25)18(20(27)29-4-2)19(24-21(26)28)15-7-5-8-16(22)13-15/h5,7-8,13,19,23H,3-4,6,9-12,14H2,1-2H3,(H,24,28)