2-[6-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[6-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-6-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[6-oxo-2-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-6-oxo-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-(4-benzylpiperazino)-6-keto-1H-pyrimidin-5-yl]acetic acid Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=C(C(=O)N3)CC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=C(C(=O)N3)CC(=O)O

InChI

InChI=1S/C17H20N4O3/c22-15(23)10-14-11-18-17(19-16(14)24)21-8-6-20(7-9-21)12-13-4-2-1-3-5-13/h1-5,11H,6-10,12H2,(H,22,23)(H,18,19,24)