N,N-diethyl-2-[4-[[[2-(1-oxidanylbutan-2-ylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]phenyl]benzamide

Systemtic Name: N,N-diethyl-2-[4-[[[2-(1-oxidanylbutan-2-ylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]phenyl]benzamide Openeye Name: N,N-diethyl-2-[4-[[[2-[1-(hydroxymethyl)propylamino]-9-isopropyl-purin-6-yl]amino]methyl]phenyl]benzamide CAS Name: N,N-diethyl-2-[4-[[[2-(1-hydroxybutan-2-ylamino)-9-propan-2-yl-6-purinyl]amino]methyl]phenyl]benzamide IUPAC Name: N,N-diethyl-2-[4-[[[2-(1-hydroxybutan-2-ylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzamide Traditional Name: N,N-diethyl-2-[4-[[[9-isopropyl-2-(1-methylolpropylamino)purin-6-yl]amino]methyl]phenyl]benzamide Formula: C30H39N7O2 MolecularWeight: 529.67636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)N(CC)CC)N=CN2C(C)C

Isomeric SMILES

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)N(CC)CC)N=CN2C(C)C

InChI

InChI=1S/C30H39N7O2/c1-6-23(18-38)33-30-34-27(26-28(35-30)37(19-32-26)20(4)5)31-17-21-13-15-22(16-14-21)24-11-9-10-12-25(24)29(39)36(7-2)8-3/h9-16,19-20,23,38H,6-8,17-18H2,1-5H3,(H2,31,33,34,35)