3-(2-pyrrolidin-1-ium-1-ylethyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one Openeye Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-2-thioxo-1H-pyrido[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one IUPAC Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-2-thioxo-1H-pyrido[2,3-d]pyrimidin-4-one Formula: C13H17N4OS+ MolecularWeight: 277.36528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C(=O)C3=C(NC2=S)N=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CCN2C(=O)C3=C(NC2=S)N=CC=C3

InChI

InChI=1S/C13H16N4OS/c18-12-10-4-3-5-14-11(10)15-13(19)17(12)9-8-16-6-1-2-7-16/h3-5H,1-2,6-9H2,(H,14,15,19)/p+1