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

Systemtic Name: 2-[4-(naphthalen-1-ylmethylamino)piperidin-1-yl]-N,9-bis(prop-2-enyl)purin-6-amine Openeye Name: N,9-diallyl-2-[4-(1-naphthylmethylamino)-1-piperidyl]purin-6-amine CAS Name: 2-[4-(1-naphthalenylmethylamino)-1-piperidinyl]-N,9-bis(prop-2-enyl)-6-purinamine IUPAC Name: 2-[4-(naphthalen-1-ylmethylamino)piperidin-1-yl]-N,9-bis(prop-2-enyl)purin-6-amine Traditional Name: allyl-[9-allyl-2-[4-(1-naphthylmethylamino)piperidino]purin-6-yl]amine Formula: C27H31N7 MolecularWeight: 453.58194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1N=CN2CC=C)N3CCC(CC3)NCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC=C)N3CCC(CC3)NCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H31N7/c1-3-14-28-25-24-26(34(15-4-2)19-30-24)32-27(31-25)33-16-12-22(13-17-33)29-18-21-10-7-9-20-8-5-6-11-23(20)21/h3-11,19,22,29H,1-2,12-18H2,(H,28,31,32)