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

Systemtic Name: 6-cyclohexyl-1-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 6-cyclohexyl-1-phenethyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 6-cyclohexyl-1-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 6-cyclohexyl-1-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 6-cyclohexyl-1-phenethyl-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:

C1CCC(CC1)[NH+]2CC3=C(NC2)N(C(=S)NC3=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CC3=C(NC2)N(C(=S)NC3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C20H26N4OS/c25-19-17-13-23(16-9-5-2-6-10-16)14-21-18(17)24(20(26)22-19)12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16,21H,2,5-6,9-14H2,(H,22,25,26)/p+1