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

Systemtic Name: 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]pent-1-yn-3-ol CAS Name: 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]pent-1-yn-3-ol Traditional Name: 1-[6-(benzylamino)-9-isopropyl-purin-2-yl]pent-1-yn-3-ol Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O/c1-4-16(26)10-11-17-23-19(21-12-15-8-6-5-7-9-15)18-20(24-17)25(13-22-18)14(2)3/h5-9,13-14,16,26H,4,12H2,1-3H3,(H,21,23,24)