N2-[4-(dipropylamino)cyclohexyl]-N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-[4-(dipropylamino)cyclohexyl]-N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-[4-(dipropylamino)cyclohexyl]-9-isopropyl-N6-[(4-phenylphenyl)methyl]purine-2,6-diamine CAS Name: N2-[4-(dipropylamino)cyclohexyl]-N6-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-[4-(dipropylamino)cyclohexyl]-6-N-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: [4-[[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amino]cyclohexyl]-dipropyl-amine Formula: C33H45N7 MolecularWeight: 539.7573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

Isomeric SMILES

CCCN(CCC)C1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

InChI

InChI=1S/C33H45N7/c1-5-20-39(21-6-2)29-18-16-28(17-19-29)36-33-37-31(30-32(38-33)40(23-35-30)24(3)4)34-22-25-12-14-27(15-13-25)26-10-8-7-9-11-26/h7-15,23-24,28-29H,5-6,16-22H2,1-4H3,(H2,34,36,37,38)