1-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-3-methyl-N-phenyl-butane-1-sulfonamide

Systemtic Name: 1-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-3-methyl-N-phenyl-butane-1-sulfonamide Openeye Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-methyl-N-phenyl-butane-1-sulfonamide CAS Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-3-methyl-N-phenyl-1-butanesulfonamide IUPAC Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-methyl-N-phenylbutane-1-sulfonamide Traditional Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-methyl-N-phenyl-butane-1-sulfonamide Formula: C24H35N7O3S MolecularWeight: 501.6448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC(CC(C)C)S(=O)(=O)NC3=CC=CC=C3)NC4CCC(CC4)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC(CC(C)C)S(=O)(=O)NC3=CC=CC=C3)NC4CCC(CC4)O

InChI

InChI=1S/C24H35N7O3S/c1-4-31-15-25-21-22(28-24(29-23(21)31)26-17-10-12-19(32)13-11-17)27-20(14-16(2)3)35(33,34)30-18-8-6-5-7-9-18/h5-9,15-17,19-20,30,32H,4,10-14H2,1-3H3,(H2,26,27,28,29)