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

Systemtic Name: N-ethyl-4-[6-(phenethylamino)-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-ethyl-piperazine-1-carboxamide CAS Name: N-ethyl-4-[6-(phenethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-ethylpiperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(phenethylamino)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)NCCC4=CC=CC=C4)N=CN3CC5=CC=CC=C5

Isomeric SMILES

CCNC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=CC=C5

InChI

InChI=1S/C27H32N8O/c1-2-28-27(36)34-17-15-33(16-18-34)26-31-24(29-14-13-21-9-5-3-6-10-21)23-25(32-26)35(20-30-23)19-22-11-7-4-8-12-22/h3-12,20H,2,13-19H2,1H3,(H,28,36)(H,29,31,32)