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

Systemtic Name: 2-(3-azanyl-4-methyl-pent-1-ynyl)-8-(furan-2-yl)-9-methyl-purin-6-amine Openeye Name: 2-(3-amino-4-methyl-pent-1-ynyl)-8-(2-furyl)-9-methyl-purin-6-amine CAS Name: 2-(3-amino-4-methylpent-1-ynyl)-8-(2-furanyl)-9-methyl-6-purinamine IUPAC Name: 2-(3-amino-4-methylpent-1-ynyl)-8-(furan-2-yl)-9-methylpurin-6-amine Traditional Name: [3-[6-amino-8-(2-furyl)-9-methyl-purin-2-yl]-1-isopropyl-prop-2-ynyl]amine Formula: C16H18N6O MolecularWeight: 310.35372

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O/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)