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

Systemtic Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-6-(3-methoxyphenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-6-(3-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-6-(3-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-6-(3-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-keto-6-(3-methoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O4/c1-4-26-18(15-25-12-7-10-23-11-13-25)19(21(27)30-5-2)20(24-22(26)28)16-8-6-9-17(14-16)29-3/h6,8-9,14,20,23H,4-5,7,10-13,15H2,1-3H3,(H,24,28)