N-phenyl-4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-phenyl-4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazine-1-carboxamide Openeye Name: 4-[6-(allylamino)-9-benzyl-purin-2-yl]-N-phenyl-piperazine-1-carboxamide CAS Name: N-phenyl-4-[9-(phenylmethyl)-6-(prop-2-enylamino)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(prop-2-enylamino)purin-2-yl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[6-(allylamino)-9-benzyl-purin-2-yl]-N-phenyl-piperazine-1-carboxamide Formula: C26H28N8O MolecularWeight: 468.55352

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H28N8O/c1-2-13-27-23-22-24(34(19-28-22)18-20-9-5-3-6-10-20)31-25(30-23)32-14-16-33(17-15-32)26(35)29-21-11-7-4-8-12-21/h2-12,19H,1,13-18H2,(H,29,35)(H,27,30,31)