3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-[(4-methylphenyl)methyl]benzamide

Systemtic Name: 3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-[(4-methylphenyl)methyl]benzamide Openeye Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(p-tolylmethyl)benzamide CAS Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-[(4-methylphenyl)methyl]benzamide IUPAC Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-[(4-methylphenyl)methyl]benzamide Traditional Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(4-methylbenzyl)benzamide Formula: C28H33N7O2 MolecularWeight: 499.60732

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C(=O)NCC4=CC=C(C=C4)C)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C(=O)NCC4=CC=C(C=C4)C)NC5CCC(CC5)O

InChI

InChI=1S/C28H33N7O2/c1-3-35-17-30-24-25(33-28(34-26(24)35)32-21-11-13-23(36)14-12-21)31-22-6-4-5-20(15-22)27(37)29-16-19-9-7-18(2)8-10-19/h4-10,15,17,21,23,36H,3,11-14,16H2,1-2H3,(H,29,37)(H2,31,32,33,34)