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

Systemtic Name: 3-[3-(azepan-1-ium-1-yl)propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-(azepan-1-ium-1-yl)propyl]-2-thioxo-1H-pyrido[2,3-d]pyrimidin-4-one CAS Name: 3-[3-(1-azepan-1-iumyl)propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one IUPAC Name: 3-[3-(azepan-1-ium-1-yl)propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-(azepan-1-ium-1-yl)propyl]-2-thioxo-1H-pyrido[2,3-d]pyrimidin-4-one Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCN2C(=O)C3=C(NC2=S)N=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CCCN2C(=O)C3=C(NC2=S)N=CC=C3

InChI

InChI=1S/C16H22N4OS/c21-15-13-7-5-8-17-14(13)18-16(22)20(15)12-6-11-19-9-3-1-2-4-10-19/h5,7-8H,1-4,6,9-12H2,(H,17,18,22)/p+1