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

Systemtic Name: 1-[6-[(3,4-dichlorophenyl)amino]-9-propan-2-yl-purin-2-yl]-3-methyl-pent-1-yn-3-ol Openeye Name: 1-[6-(3,4-dichloroanilino)-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol CAS Name: 1-[6-(3,4-dichloroanilino)-9-propan-2-yl-2-purinyl]-3-methyl-1-pentyn-3-ol IUPAC Name: 1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]-3-methylpent-1-yn-3-ol Traditional Name: 1-[6-(3,4-dichloroanilino)-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol Formula: C20H21Cl2N5O MolecularWeight: 418.31964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2N5O/c1-5-20(4,28)9-8-16-25-18(24-13-6-7-14(21)15(22)10-13)17-19(26-16)27(11-23-17)12(2)3/h6-7,10-12,28H,5H2,1-4H3,(H,24,25,26)