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

Systemtic Name: methyl 2-[2-[4-(4-methylphenyl)piperazin-1-yl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[4-(p-tolyl)piperazin-1-yl]-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[4-(4-methylphenyl)-1-piperazinyl]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-methylphenyl)piperazin-1-yl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[4-(p-tolyl)piperazino]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=O)C=C(N3)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=O)C=C(N3)CC(=O)OC

InChI

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