6-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 6-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC3=C(NC2)N(C(=S)NC3=O)CCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)N2CC3=C(NC2)N(C(=S)NC3=O)CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C22H27N5OS/c28-21-18-13-26(16-6-2-1-3-7-16)14-24-20(18)27(22(29)25-21)11-10-15-12-23-19-9-5-4-8-17(15)19/h4-5,8-9,12,16,23-24H,1-3,6-7,10-11,13-14H2,(H,25,28,29)