2-(oxidanylidenemethylidene)-1-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-(oxidanylidenemethylidene)-1-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylic acid Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(oxomethylene)pyrimidine-5-carboxylic acid CAS Name: 2-(oxomethylidene)-1-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(oxomethylidene)pyrimidine-5-carboxylic acid Traditional Name: 1-(4-benzylpiperazino)-2-(ketomethylene)pyrimidine-5-carboxylic acid Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)N3C=C(C=NC3=C=O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)N3C=C(C=NC3=C=O)C(=O)O

InChI

InChI=1S/C17H18N4O3/c22-13-16-18-10-15(17(23)24)12-21(16)20-8-6-19(7-9-20)11-14-4-2-1-3-5-14/h1-5,10,12H,6-9,11H2,(H,23,24)