3-[3-(cyclohexylmethyl)-1-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-4-propoxy-N-pyridin-4-yl-benzenesulfonamide

Systemtic Name: 3-[3-(cyclohexylmethyl)-1-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-4-propoxy-N-pyridin-4-yl-benzenesulfonamide Openeye Name: 3-[3-(cyclohexylmethyl)-1-methyl-2,6-dioxo-7H-purin-8-yl]-4-propoxy-N-(4-pyridyl)benzenesulfonamide CAS Name: 3-[3-(cyclohexylmethyl)-1-methyl-2,6-dioxo-7H-purin-8-yl]-4-propoxy-N-pyridin-4-ylbenzenesulfonamide IUPAC Name: 3-[3-(cyclohexylmethyl)-1-methyl-2,6-dioxo-7H-purin-8-yl]-4-propoxy-N-pyridin-4-ylbenzenesulfonamide Traditional Name: 3-[3-(cyclohexylmethyl)-2,6-diketo-1-methyl-7H-purin-8-yl]-4-propoxy-N-(4-pyridyl)benzenesulfonamide Formula: C27H32N6O5S MolecularWeight: 552.64518

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=NC=C2)C3=NC4=C(N3)C(=O)N(C(=O)N4CC5CCCCC5)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=NC=C2)C3=NC4=C(N3)C(=O)N(C(=O)N4CC5CCCCC5)C

InChI

InChI=1S/C27H32N6O5S/c1-3-15-38-22-10-9-20(39(36,37)31-19-11-13-28-14-12-19)16-21(22)24-29-23-25(30-24)33(27(35)32(2)26(23)34)17-18-7-5-4-6-8-18/h9-14,16,18H,3-8,15,17H2,1-2H3,(H,28,31)(H,29,30)