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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3/c1-25-17(24)12-15-11-16(23)20-18(19-15)22-9-7-21(8-10-22)13-14-5-3-2-4-6-14/h2-6,11H,7-10,12-13H2,1H3,(H,19,20,23)