3-cyano-N-[6-[3-(cyclohexylamino)propylamino]-9-(phenylmethyl)purin-2-yl]benzamide

Systemtic Name: 3-cyano-N-[6-[3-(cyclohexylamino)propylamino]-9-(phenylmethyl)purin-2-yl]benzamide Openeye Name: N-[9-benzyl-6-[3-(cyclohexylamino)propylamino]purin-2-yl]-3-cyano-benzamide CAS Name: 3-cyano-N-[6-[3-(cyclohexylamino)propylamino]-9-(phenylmethyl)-2-purinyl]benzamide IUPAC Name: N-[9-benzyl-6-[3-(cyclohexylamino)propylamino]purin-2-yl]-3-cyanobenzamide Traditional Name: N-[9-benzyl-6-[3-(cyclohexylamino)propylamino]purin-2-yl]-3-cyano-benzamide Formula: C29H32N8O MolecularWeight: 508.61738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)NC(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1CCC(CC1)NCCCNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)NC(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C29H32N8O/c30-18-22-11-7-12-23(17-22)28(38)36-29-34-26(32-16-8-15-31-24-13-5-2-6-14-24)25-27(35-29)37(20-33-25)19-21-9-3-1-4-10-21/h1,3-4,7,9-12,17,20,24,31H,2,5-6,8,13-16,19H2,(H2,32,34,35,36,38)