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

Systemtic Name: 6-butyl-1-(2-chlorophenyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 6-butyl-1-(2-chlorophenyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 6-butyl-1-(2-chlorophenyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 6-butyl-1-(2-chlorophenyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 6-butyl-1-(2-chlorophenyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C16H20ClN4OS+ MolecularWeight: 351.8742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CC2=C(NC1)N(C(=S)NC2=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCCC[NH+]1CC2=C(NC1)N(C(=S)NC2=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C16H19ClN4OS/c1-2-3-8-20-9-11-14(18-10-20)21(16(23)19-15(11)22)13-7-5-4-6-12(13)17/h4-7,18H,2-3,8-10H2,1H3,(H,19,22,23)/p+1