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

Systemtic Name: 1-[6-[(4-methoxyphenyl)amino]-9-propan-2-yl-purin-2-yl]-3-methyl-pent-1-yn-3-ol Openeye Name: 1-[9-isopropyl-6-(4-methoxyanilino)purin-2-yl]-3-methyl-pent-1-yn-3-ol CAS Name: 1-[6-(4-methoxyanilino)-9-propan-2-yl-2-purinyl]-3-methyl-1-pentyn-3-ol IUPAC Name: 1-[6-(4-methoxyanilino)-9-propan-2-ylpurin-2-yl]-3-methylpent-1-yn-3-ol Traditional Name: 1-[9-isopropyl-6-(p-anisidino)purin-2-yl]-3-methyl-pent-1-yn-3-ol Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2/c1-6-21(4,27)12-11-17-24-19(23-15-7-9-16(28-5)10-8-15)18-20(25-17)26(13-22-18)14(2)3/h7-10,13-14,27H,6H2,1-5H3,(H,23,24,25)