3-methyl-1-(6-phenylazanyl-9-propan-2-yl-purin-2-yl)pent-1-yn-3-ol

Systemtic Name: 3-methyl-1-(6-phenylazanyl-9-propan-2-yl-purin-2-yl)pent-1-yn-3-ol Openeye Name: 1-(6-anilino-9-isopropyl-purin-2-yl)-3-methyl-pent-1-yn-3-ol CAS Name: 1-(6-anilino-9-propan-2-yl-2-purinyl)-3-methyl-1-pentyn-3-ol IUPAC Name: 1-(6-anilino-9-propan-2-ylpurin-2-yl)-3-methylpent-1-yn-3-ol Traditional Name: 1-(6-anilino-9-isopropyl-purin-2-yl)-3-methyl-pent-1-yn-3-ol Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O/c1-5-20(4,26)12-11-16-23-18(22-15-9-7-6-8-10-15)17-19(24-16)25(13-21-17)14(2)3/h6-10,13-14,26H,5H2,1-4H3,(H,22,23,24)