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

Systemtic Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3/c1-3-25-17(15-24-13-8-11-22-12-14-24)18(20(26)28-4-2)19(23-21(25)27)16-9-6-5-7-10-16/h5-7,9-10,19,22H,3-4,8,11-15H2,1-2H3,(H,23,27)