3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2-thioxo-1H-pyrido[2,3-d]pyrimidin-4-one CAS Name: 3-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one IUPAC Name: 3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2-thioxo-1H-pyrido[2,3-d]pyrimidin-4-one Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCN3C(=O)C4=C(NC3=S)N=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCN3C(=O)C4=C(NC3=S)N=CC=C4

InChI

InChI=1S/C21H25N5O2S/c1-28-17-7-5-16(6-8-17)25-14-12-24(13-15-25)10-3-11-26-20(27)18-4-2-9-22-19(18)23-21(26)29/h2,4-9H,3,10-15H2,1H3,(H,22,23,29)/p+1