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

Systemtic Name: 3-methyl-1-[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]pent-1-yn-3-ol Openeye Name: 1-[6-(benzylamino)-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol CAS Name: 3-methyl-1-[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]-1-pentyn-3-ol IUPAC Name: 1-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-3-methylpent-1-yn-3-ol Traditional Name: 1-[6-(benzylamino)-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O/c1-5-21(4,27)12-11-17-24-19(22-13-16-9-7-6-8-10-16)18-20(25-17)26(14-23-18)15(2)3/h6-10,14-15,27H,5,13H2,1-4H3,(H,22,24,25)