2-phenyl-4-[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]but-3-yn-2-ol

Systemtic Name: 2-phenyl-4-[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]but-3-yn-2-ol Openeye Name: 4-[6-(benzylamino)-9-isopropyl-purin-2-yl]-2-phenyl-but-3-yn-2-ol CAS Name: 2-phenyl-4-[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]-3-butyn-2-ol IUPAC Name: 4-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-2-phenylbut-3-yn-2-ol Traditional Name: 4-[6-(benzylamino)-9-isopropyl-purin-2-yl]-2-phenyl-but-3-yn-2-ol Formula: C25H25N5O MolecularWeight: 411.4989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)C#CC(C)(C4=CC=CC=C4)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)C#CC(C)(C4=CC=CC=C4)O

InChI

InChI=1S/C25H25N5O/c1-18(2)30-17-27-22-23(26-16-19-10-6-4-7-11-19)28-21(29-24(22)30)14-15-25(3,31)20-12-8-5-9-13-20/h4-13,17-18,31H,16H2,1-3H3,(H,26,28,29)