4-(oxidanylidenemethylidene)-3-[4-(phenylmethyl)piperazin-1-yl]-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(oxidanylidenemethylidene)-3-[4-(phenylmethyl)piperazin-1-yl]-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-(4-benzylpiperazin-1-yl)-4-(oxomethylene)-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-(oxomethylidene)-3-[4-(phenylmethyl)-1-piperazinyl]-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(4-benzylpiperazin-1-yl)-4-(oxomethylidene)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 3-(4-benzylpiperazino)-4-(ketomethylene)-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)N3C(=C=O)C(=CNC3=S)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)N3C(=C=O)C(=CNC3=S)C(=O)O

InChI

InChI=1S/C17H18N4O3S/c22-12-15-14(16(23)24)10-18-17(25)21(15)20-8-6-19(7-9-20)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11H2,(H,18,25)(H,23,24)