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

Systemtic Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-6-(3,4-dichlorophenyl)-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-6-(3,4-dichlorophenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-(1,4-diazepan-1-ylmethyl)-6-(3,4-dichlorophenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-6-(3,4-dichlorophenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-(1,4-diazepan-1-ylmethyl)-6-(3,4-dichlorophenyl)-3-ethyl-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H28Cl2N4O3 MolecularWeight: 455.37802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28Cl2N4O3/c1-3-27-17(13-26-10-5-8-24-9-11-26)18(20(28)30-4-2)19(25-21(27)29)14-6-7-15(22)16(23)12-14/h6-7,12,19,24H,3-5,8-11,13H2,1-2H3,(H,25,29)