6-butyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-olate

Systemtic Name: 6-butyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-olate Openeye Name: 6-butyl-2-thioxo-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-olate CAS Name: 6-butyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-olate IUPAC Name: 6-butyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-olate Traditional Name: 6-butyl-2-thioxo-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-olate Formula: C11H17N3OS MolecularWeight: 239.33718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CCC2=C(C1)C(=NC(=S)N2)[O-]

Isomeric SMILES

CCCC[NH+]1CCC2=C(C1)C(=NC(=S)N2)[O-]

InChI

InChI=1S/C11H17N3OS/c1-2-3-5-14-6-4-9-8(7-14)10(15)13-11(16)12-9/h2-7H2,1H3,(H2,12,13,15,16)