N-[3-[[2-[(4-oxidanylcyclohexyl)amino]-9-propan-2-yl-purin-6-yl]amino]phenyl]-4-phenyl-benzamide

Systemtic Name: N-[3-[[2-[(4-oxidanylcyclohexyl)amino]-9-propan-2-yl-purin-6-yl]amino]phenyl]-4-phenyl-benzamide Openeye Name: N-[3-[[2-[(4-hydroxycyclohexyl)amino]-9-isopropyl-purin-6-yl]amino]phenyl]-4-phenyl-benzamide CAS Name: N-[3-[[2-[(4-hydroxycyclohexyl)amino]-9-propan-2-yl-6-purinyl]amino]phenyl]-4-phenylbenzamide IUPAC Name: N-[3-[[2-[(4-hydroxycyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]-4-phenylbenzamide Traditional Name: N-[3-[[2-[(4-hydroxycyclohexyl)amino]-9-isopropyl-purin-6-yl]amino]phenyl]-4-phenyl-benzamide Formula: C33H35N7O2 MolecularWeight: 561.6767

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)NC6CCC(CC6)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)NC6CCC(CC6)O

InChI

InChI=1S/C33H35N7O2/c1-21(2)40-20-34-29-30(38-33(39-31(29)40)37-25-15-17-28(41)18-16-25)35-26-9-6-10-27(19-26)36-32(42)24-13-11-23(12-14-24)22-7-4-3-5-8-22/h3-14,19-21,25,28,41H,15-18H2,1-2H3,(H,36,42)(H2,35,37,38,39)