4-[2-(6-cyclohexyl-4-oxidanylidene-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-[2-(6-cyclohexyl-4-oxidanylidene-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Openeye Name: 4-[2-(6-cyclohexyl-4-oxo-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-1-yl)ethyl]benzenesulfonamide CAS Name: 4-[2-(6-cyclohexyl-4-oxo-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-1-yl)ethyl]benzenesulfonamide IUPAC Name: 4-[2-(6-cyclohexyl-4-oxo-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Traditional Name: 4-[2-(6-cyclohexyl-4-keto-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Formula: C20H27N5O3S2 MolecularWeight: 449.59008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC3=C(NC2)N(C(=S)NC3=O)CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CCC(CC1)N2CC3=C(NC2)N(C(=S)NC3=O)CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H27N5O3S2/c21-30(27,28)16-8-6-14(7-9-16)10-11-25-18-17(19(26)23-20(25)29)12-24(13-22-18)15-4-2-1-3-5-15/h6-9,15,22H,1-5,10-13H2,(H2,21,27,28)(H,23,26,29)