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

Systemtic Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-(1,4-diazepan-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-(1,4-diazepan-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-3-ethyl-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H34N4O5 MolecularWeight: 446.53986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O5/c1-5-27-17(15-26-12-7-10-24-11-13-26)20(22(28)32-6-2)21(25-23(27)29)16-8-9-18(30-3)19(14-16)31-4/h8-9,14,21,24H,5-7,10-13,15H2,1-4H3,(H,25,29)