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2-[(2-oxidanylcyclohexyl)amino]-1,7-bis(phenylmethyl)purin-6-one

2-[(2-oxidanylcyclohexyl)amino]-1,7-bis(phenylmethyl)purin-6-one

Systemtic Name:2-[(2-oxidanylcyclohexyl)amino]-1,7-bis(phenylmethyl)purin-6-one
Openeye Name:1,7-dibenzyl-2-[(2-hydroxycyclohexyl)amino]purin-6-one
CAS Name:2-[(2-hydroxycyclohexyl)amino]-1,7-bis(phenylmethyl)-6-purinone
IUPAC Name:1,7-dibenzyl-2-[(2-hydroxycyclohexyl)amino]purin-6-one
Traditional Name:1,7-dibenzyl-2-[(2-hydroxycyclohexyl)amino]purin-6-one
Formula: C25H27N5O2
MolecularWeight: 429.51418
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC2=NC3=C(C(=O)N2CC4=CC=CC=C4)N(C=N3)CC5=CC=CC=C5)O


Isomeric SMILES

C1CCC(C(C1)NC2=NC3=C(C(=O)N2CC4=CC=CC=C4)N(C=N3)CC5=CC=CC=C5)O


InChI

InChI=1S/C25H27N5O2/c31-21-14-8-7-13-20(21)27-25-28-23-22(24(32)30(25)16-19-11-5-2-6-12-19)29(17-26-23)15-18-9-3-1-4-10-18/h1-6,9-12,17,20-21,31H,7-8,13-16H2,(H,27,28)


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