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

Systemtic Name: 1-(3-chlorophenyl)-6-cyclohexyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 1-(3-chlorophenyl)-6-cyclohexyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1-(3-chlorophenyl)-6-cyclohexyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1-(3-chlorophenyl)-6-cyclohexyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 1-(3-chlorophenyl)-6-cyclohexyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C18H22ClN4OS+ MolecularWeight: 377.91148

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4OS/c19-12-5-4-8-14(9-12)23-16-15(17(24)21-18(23)25)10-22(11-20-16)13-6-2-1-3-7-13/h4-5,8-9,13,20H,1-3,6-7,10-11H2,(H,21,24,25)/p+1