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

Systemtic Name: 1-[6-[(4-dimethylaminophenyl)methylamino]-9-propan-2-yl-purin-2-yl]-3-methyl-pent-1-yn-3-ol Openeye Name: 1-[6-[(4-dimethylaminophenyl)methylamino]-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol CAS Name: 1-[6-[(4-dimethylaminophenyl)methylamino]-9-propan-2-yl-2-purinyl]-3-methyl-1-pentyn-3-ol IUPAC Name: 1-[6-[(4-dimethylaminophenyl)methylamino]-9-propan-2-ylpurin-2-yl]-3-methylpent-1-yn-3-ol Traditional Name: 1-[6-[[4-(dimethylamino)benzyl]amino]-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol Formula: C23H30N6O MolecularWeight: 406.5239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O/c1-7-23(4,30)13-12-19-26-21(20-22(27-19)29(15-25-20)16(2)3)24-14-17-8-10-18(11-9-17)28(5)6/h8-11,15-16,30H,7,14H2,1-6H3,(H,24,26,27)