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

Systemtic Name: 3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide Openeye Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide CAS Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-[(4-methoxyphenyl)methyl]benzamide IUPAC Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide Traditional Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-p-anisyl-benzamide Formula: C28H33N7O3 MolecularWeight: 515.60672

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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)OC)NC5CCC(CC5)O

Isomeric SMILES

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

InChI

InChI=1S/C28H33N7O3/c1-3-35-17-30-24-25(33-28(34-26(24)35)32-20-9-11-22(36)12-10-20)31-21-6-4-5-19(15-21)27(37)29-16-18-7-13-23(38-2)14-8-18/h4-8,13-15,17,20,22,36H,3,9-12,16H2,1-2H3,(H,29,37)(H2,31,32,33,34)