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

Systemtic Name: methyl 2-[4-oxidanylidene-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3/c1-24-16(23)12-13-11-15(22)19-17(18-13)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,18,19,22)