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

Systemtic Name: 4-azanyl-3-ethyl-2-[9-[(4-oxidanylcyclohexyl)amino]purin-6-yl]-N-(phenylmethyl)benzamide Openeye Name: 4-amino-N-benzyl-3-ethyl-2-[9-[(4-hydroxycyclohexyl)amino]purin-6-yl]benzamide CAS Name: 4-amino-3-ethyl-2-[9-[(4-hydroxycyclohexyl)amino]-6-purinyl]-N-(phenylmethyl)benzamide IUPAC Name: 4-amino-N-benzyl-3-ethyl-2-[9-[(4-hydroxycyclohexyl)amino]purin-6-yl]benzamide Traditional Name: 4-amino-N-benzyl-3-ethyl-2-[9-[(4-hydroxycyclohexyl)amino]purin-6-yl]benzamide Formula: C27H31N7O2 MolecularWeight: 485.58074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C2=C3C(=NC=N2)N(C=N3)NC4CCC(CC4)O)C(=O)NCC5=CC=CC=C5)N

Isomeric SMILES

CCC1=C(C=CC(=C1C2=C3C(=NC=N2)N(C=N3)NC4CCC(CC4)O)C(=O)NCC5=CC=CC=C5)N

InChI

InChI=1S/C27H31N7O2/c1-2-20-22(28)13-12-21(27(36)29-14-17-6-4-3-5-7-17)23(20)24-25-26(31-15-30-24)34(16-32-25)33-18-8-10-19(35)11-9-18/h3-7,12-13,15-16,18-19,33,35H,2,8-11,14,28H2,1H3,(H,29,36)