N-(3-chlorophenyl)-4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazine-1-carboxamide Openeye Name: 4-[6-(allylamino)-9-benzyl-purin-2-yl]-N-(3-chlorophenyl)piperazine-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[9-(phenylmethyl)-6-(prop-2-enylamino)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(prop-2-enylamino)purin-2-yl]-N-(3-chlorophenyl)piperazine-1-carboxamide Traditional Name: 4-[6-(allylamino)-9-benzyl-purin-2-yl]-N-(3-chlorophenyl)piperazine-1-carboxamide Formula: C26H27ClN8O MolecularWeight: 502.99858

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN8O/c1-2-11-28-23-22-24(35(18-29-22)17-19-7-4-3-5-8-19)32-25(31-23)33-12-14-34(15-13-33)26(36)30-21-10-6-9-20(27)16-21/h2-10,16,18H,1,11-15,17H2,(H,30,36)(H,28,31,32)