2-(3-azanyl-4-methyl-pent-1-ynyl)-8-(furan-2-yl)-9-methyl-purin-6-amine dihydrochloride

Systemtic Name: 2-(3-azanyl-4-methyl-pent-1-ynyl)-8-(furan-2-yl)-9-methyl-purin-6-amine dihydrochloride Openeye Name: 2-(3-amino-4-methyl-pent-1-ynyl)-8-(2-furyl)-9-methyl-purin-6-amine dihydrochloride CAS Name: 2-(3-amino-4-methylpent-1-ynyl)-8-(2-furanyl)-9-methyl-6-purinamine dihydrochloride IUPAC Name: 2-(3-amino-4-methylpent-1-ynyl)-8-(furan-2-yl)-9-methylpurin-6-amine dihydrochloride Traditional Name: [3-[6-amino-8-(2-furyl)-9-methyl-purin-2-yl]-1-isopropyl-prop-2-ynyl]amine dihydrochloride Formula: C16H20Cl2N6O MolecularWeight: 383.2756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC=CO3)N.Cl.Cl

Isomeric SMILES

CC(C)C(C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC=CO3)N.Cl.Cl

InChI

InChI=1S/C16H18N6O.2ClH/c1-9(2)10(17)6-7-12-19-14(18)13-16(20-12)22(3)15(21-13)11-5-4-8-23-11;;/h4-5,8-10H,17H2,1-3H3,(H2,18,19,20);2*1H