ethyl 2-[4-oxidanylidene-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: ethyl 2-[4-oxidanylidene-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-yl]ethanoate Openeye Name: ethyl 2-[4-oxo-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-(4-phenyl-1-piperazinyl)-1H-pyrimidin-6-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-oxo-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-(4-phenylpiperazino)-1H-pyrimidin-6-yl]acetic acid ethyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=O)N=C(N1)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=CC(=O)N=C(N1)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3/c1-2-25-17(24)13-14-12-16(23)20-18(19-14)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7,12H,2,8-11,13H2,1H3,(H,19,20,23)