3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-thioxo-1H-pyrido[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one IUPAC Name: 3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-thioxo-1H-pyrido[2,3-d]pyrimidin-4-one Formula: C19H22N5OS+ MolecularWeight: 368.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C3=C(NC2=S)N=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=C(NC2=S)N=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H21N5OS/c25-18-16-7-4-8-20-17(16)21-19(26)24(18)14-11-22-9-12-23(13-10-22)15-5-2-1-3-6-15/h1-8H,9-14H2,(H,20,21,26)/p+1