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

Systemtic Name: 6-cyclohexyl-1-(2,3-dimethylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 6-cyclohexyl-1-(2,3-dimethylphenyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 6-cyclohexyl-1-(2,3-dimethylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 6-cyclohexyl-1-(2,3-dimethylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 6-cyclohexyl-1-(2,3-dimethylphenyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C3=C(C[NH+](CN3)C4CCCCC4)C(=O)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C3=C(C[NH+](CN3)C4CCCCC4)C(=O)NC2=S)C

InChI

InChI=1S/C20H26N4OS/c1-13-7-6-10-17(14(13)2)24-18-16(19(25)22-20(24)26)11-23(12-21-18)15-8-4-3-5-9-15/h6-7,10,15,21H,3-5,8-9,11-12H2,1-2H3,(H,22,25,26)/p+1