1-[6-[(4-chlorophenyl)methylamino]-9-propan-2-yl-purin-2-yl]-3-methyl-pent-1-yn-3-ol

Systemtic Name: 1-[6-[(4-chlorophenyl)methylamino]-9-propan-2-yl-purin-2-yl]-3-methyl-pent-1-yn-3-ol Openeye Name: 1-[6-[(4-chlorophenyl)methylamino]-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol CAS Name: 1-[6-[(4-chlorophenyl)methylamino]-9-propan-2-yl-2-purinyl]-3-methyl-1-pentyn-3-ol IUPAC Name: 1-[6-[(4-chlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]-3-methylpent-1-yn-3-ol Traditional Name: 1-[6-[(4-chlorobenzyl)amino]-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol Formula: C21H24ClN5O MolecularWeight: 397.90116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#CC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)Cl)N=CN2C(C)C)O

Isomeric SMILES

CCC(C)(C#CC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)Cl)N=CN2C(C)C)O

InChI

InChI=1S/C21H24ClN5O/c1-5-21(4,28)11-10-17-25-19(23-12-15-6-8-16(22)9-7-15)18-20(26-17)27(13-24-18)14(2)3/h6-9,13-14,28H,5,12H2,1-4H3,(H,23,25,26)