1-[6-[(3,4-dimethoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]-3-methyl-pent-1-yn-3-ol

Systemtic Name: 1-[6-[(3,4-dimethoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]-3-methyl-pent-1-yn-3-ol Openeye Name: 1-[6-[(3,4-dimethoxyphenyl)methylamino]-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol CAS Name: 1-[6-[(3,4-dimethoxyphenyl)methylamino]-9-propan-2-yl-2-purinyl]-3-methyl-1-pentyn-3-ol IUPAC Name: 1-[6-[(3,4-dimethoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]-3-methylpent-1-yn-3-ol Traditional Name: 1-[9-isopropyl-6-(veratrylamino)purin-2-yl]-3-methyl-pent-1-yn-3-ol Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O3/c1-7-23(4,29)11-10-19-26-21(20-22(27-19)28(14-25-20)15(2)3)24-13-16-8-9-17(30-5)18(12-16)31-6/h8-9,12,14-15,29H,7,13H2,1-6H3,(H,24,26,27)