N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]propanamide

Systemtic Name: N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]propanamide Openeye Name: N-[4-[[9-isopropyl-6-[(4-phenylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]propanamide CAS Name: N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]propanamide IUPAC Name: N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]propanamide Traditional Name: N-[4-[[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amino]cyclohexyl]propionamide Formula: C30H37N7O MolecularWeight: 511.66108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

Isomeric SMILES

CCC(=O)NC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

InChI

InChI=1S/C30H37N7O/c1-4-26(38)33-24-14-16-25(17-15-24)34-30-35-28(27-29(36-30)37(19-32-27)20(2)3)31-18-21-10-12-23(13-11-21)22-8-6-5-7-9-22/h5-13,19-20,24-25H,4,14-18H2,1-3H3,(H,33,38)(H2,31,34,35,36)