N-ethyl-4-[6-[(4-methylphenyl)methylamino]-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-ethyl-4-[6-[(4-methylphenyl)methylamino]-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-(p-tolylmethylamino)purin-2-yl]-N-ethyl-piperazine-1-carboxamide CAS Name: N-ethyl-4-[6-[(4-methylphenyl)methylamino]-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-[(4-methylphenyl)methylamino]purin-2-yl]-N-ethylpiperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-[(4-methylbenzyl)amino]purin-2-yl]-N-ethyl-piperazine-1-carboxamide Formula: C27H32N8O MolecularWeight: 484.59598

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C)N=CN3CC5=CC=CC=C5

Isomeric SMILES

CCNC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C)N=CN3CC5=CC=CC=C5

InChI

InChI=1S/C27H32N8O/c1-3-28-27(36)34-15-13-33(14-16-34)26-31-24(29-17-21-11-9-20(2)10-12-21)23-25(32-26)35(19-30-23)18-22-7-5-4-6-8-22/h4-12,19H,3,13-18H2,1-2H3,(H,28,36)(H,29,31,32)