2-cyclohexyl-9-(2-methylsulfonyl-6-phenyl-hexan-3-yl)-3H-purin-6-one

Systemtic Name: 2-cyclohexyl-9-(2-methylsulfonyl-6-phenyl-hexan-3-yl)-3H-purin-6-one Openeye Name: 2-cyclohexyl-9-[1-(1-methylsulfonylethyl)-4-phenyl-butyl]-3H-purin-6-one CAS Name: 2-cyclohexyl-9-(2-methylsulfonyl-6-phenylhexan-3-yl)-3H-purin-6-one IUPAC Name: 2-cyclohexyl-9-(2-methylsulfonyl-6-phenylhexan-3-yl)-3H-purin-6-one Traditional Name: 2-cyclohexyl-9-[1-(1-mesylethyl)-4-phenyl-butyl]-3H-purin-6-one Formula: C24H32N4O3S MolecularWeight: 456.60088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4CCCCC4)S(=O)(=O)C

Isomeric SMILES

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4CCCCC4)S(=O)(=O)C

InChI

InChI=1S/C24H32N4O3S/c1-17(32(2,30)31)20(15-9-12-18-10-5-3-6-11-18)28-16-25-21-23(28)26-22(27-24(21)29)19-13-7-4-8-14-19/h3,5-6,10-11,16-17,19-20H,4,7-9,12-15H2,1-2H3,(H,26,27,29)