6-butyl-1-(2,3-dimethylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one

Systemtic Name: 6-butyl-1-(2,3-dimethylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 6-butyl-1-(2,3-dimethylphenyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 6-butyl-1-(2,3-dimethylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 6-butyl-1-(2,3-dimethylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 6-butyl-1-(2,3-dimethylphenyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CC2=C(NC1)N(C(=S)NC2=O)C3=CC=CC(=C3C)C

Isomeric SMILES

CCCC[NH+]1CC2=C(NC1)N(C(=S)NC2=O)C3=CC=CC(=C3C)C

InChI

InChI=1S/C18H24N4OS/c1-4-5-9-21-10-14-16(19-11-21)22(18(24)20-17(14)23)15-8-6-7-12(2)13(15)3/h6-8,19H,4-5,9-11H2,1-3H3,(H,20,23,24)/p+1