2-[4-(2,2-diphenylethylamino)piperidin-1-yl]-N,9-bis(prop-2-enyl)purin-6-amine

Systemtic Name: 2-[4-(2,2-diphenylethylamino)piperidin-1-yl]-N,9-bis(prop-2-enyl)purin-6-amine Openeye Name: N,9-diallyl-2-[4-(2,2-diphenylethylamino)-1-piperidyl]purin-6-amine CAS Name: 2-[4-(2,2-diphenylethylamino)-1-piperidinyl]-N,9-bis(prop-2-enyl)-6-purinamine IUPAC Name: 2-[4-(2,2-diphenylethylamino)piperidin-1-yl]-N,9-bis(prop-2-enyl)purin-6-amine Traditional Name: allyl-[9-allyl-2-[4-(2,2-diphenylethylamino)piperidino]purin-6-yl]amine Formula: C30H35N7 MolecularWeight: 493.6458

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1N=CN2CC=C)N3CCC(CC3)NCC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC=C)N3CCC(CC3)NCC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H35N7/c1-3-17-31-28-27-29(37(18-4-2)22-33-27)35-30(34-28)36-19-15-25(16-20-36)32-21-26(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h3-14,22,25-26,32H,1-2,15-21H2,(H,31,34,35)