ethyl 2-oxidanylidene-6-[(3-oxidanylidenepiperazin-1-yl)methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-6-[(3-oxidanylidenepiperazin-1-yl)methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[(3-oxopiperazin-1-yl)methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[(3-oxo-1-piperazinyl)methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[(3-oxopiperazin-1-yl)methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[(3-ketopiperazino)methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCNC(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCNC(=O)C3

InChI

InChI=1S/C18H22N4O4/c1-2-26-17(24)15-13(10-22-9-8-19-14(23)11-22)20-18(25)21-16(15)12-6-4-3-5-7-12/h3-7,16H,2,8-11H2,1H3,(H,19,23)(H2,20,21,25)