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

Systemtic Name: 1-[6-[(4-ethoxyphenyl)amino]-9-propan-2-yl-purin-2-yl]-3-methyl-pent-1-yn-3-ol Openeye Name: 1-[6-(4-ethoxyanilino)-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol CAS Name: 1-[6-(4-ethoxyanilino)-9-propan-2-yl-2-purinyl]-3-methyl-1-pentyn-3-ol IUPAC Name: 1-[6-(4-ethoxyanilino)-9-propan-2-ylpurin-2-yl]-3-methylpent-1-yn-3-ol Traditional Name: 1-[9-isopropyl-6-(p-phenetidino)purin-2-yl]-3-methyl-pent-1-yn-3-ol Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#CC1=NC2=C(C(=N1)NC3=CC=C(C=C3)OCC)N=CN2C(C)C)O

Isomeric SMILES

CCC(C)(C#CC1=NC2=C(C(=N1)NC3=CC=C(C=C3)OCC)N=CN2C(C)C)O

InChI

InChI=1S/C22H27N5O2/c1-6-22(5,28)13-12-18-25-20(19-21(26-18)27(14-23-19)15(3)4)24-16-8-10-17(11-9-16)29-7-2/h8-11,14-15,28H,6-7H2,1-5H3,(H,24,25,26)