6-cyclohexyl-1-phenyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one

Systemtic Name: 6-cyclohexyl-1-phenyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 6-cyclohexyl-1-phenyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 6-cyclohexyl-1-phenyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 6-cyclohexyl-1-phenyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 6-cyclohexyl-1-phenyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C18H23N4OS+ MolecularWeight: 343.46642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CC3=C(NC2)N(C(=S)NC3=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CC3=C(NC2)N(C(=S)NC3=O)C4=CC=CC=C4

InChI

InChI=1S/C18H22N4OS/c23-17-15-11-21(13-7-3-1-4-8-13)12-19-16(15)22(18(24)20-17)14-9-5-2-6-10-14/h2,5-6,9-10,13,19H,1,3-4,7-8,11-12H2,(H,20,23,24)/p+1