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

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

Systemtic Name:N-[6-[3-(cyclohexylamino)propylamino]-9-(phenylmethyl)purin-2-yl]benzamide
Openeye Name:N-[9-benzyl-6-[3-(cyclohexylamino)propylamino]purin-2-yl]benzamide
CAS Name:N-[6-[3-(cyclohexylamino)propylamino]-9-(phenylmethyl)-2-purinyl]benzamide
IUPAC Name:N-[9-benzyl-6-[3-(cyclohexylamino)propylamino]purin-2-yl]benzamide
Traditional Name:N-[9-benzyl-6-[3-(cyclohexylamino)propylamino]purin-2-yl]benzamide
Formula: C28H33N7O
MolecularWeight: 483.60792
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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


Isomeric SMILES

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


InChI

InChI=1S/C28H33N7O/c36-27(22-13-6-2-7-14-22)34-28-32-25(30-18-10-17-29-23-15-8-3-9-16-23)24-26(33-28)35(20-31-24)19-21-11-4-1-5-12-21/h1-2,4-7,11-14,20,23,29H,3,8-10,15-19H2,(H2,30,32,33,34,36)


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