N-cyclohexyl-4-[6-(phenethylamino)-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-cyclohexyl-4-[6-(phenethylamino)-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-cyclohexyl-piperazine-1-carboxamide CAS Name: N-cyclohexyl-4-[6-(phenethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-cyclohexylpiperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-cyclohexyl-piperazine-1-carboxamide Formula: C31H38N8O MolecularWeight: 538.68642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCCC5=CC=CC=C5)N=CN4CC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCCC5=CC=CC=C5)N=CN4CC6=CC=CC=C6

InChI

InChI=1S/C31H38N8O/c40-31(34-26-14-8-3-9-15-26)38-20-18-37(19-21-38)30-35-28(32-17-16-24-10-4-1-5-11-24)27-29(36-30)39(23-33-27)22-25-12-6-2-7-13-25/h1-2,4-7,10-13,23,26H,3,8-9,14-22H2,(H,34,40)(H,32,35,36)