2-[6-azanyl-8-(butylamino)-2-hex-1-ynyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-8-(butylamino)-2-hex-1-ynyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-8-(butylamino)-2-hex-1-ynyl-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-8-(butylamino)-2-hex-1-ynyl-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-8-(butylamino)-2-hex-1-ynylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-8-(butylamino)-2-hex-1-ynyl-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C20H30N6O4 MolecularWeight: 418.49

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)NCCCC

Isomeric SMILES

CCCCC#CC1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)NCCCC

InChI

InChI=1S/C20H30N6O4/c1-3-5-7-8-9-13-23-17(21)14-18(24-13)26(20(25-14)22-10-6-4-2)19-16(29)15(28)12(11-27)30-19/h12,15-16,19,27-29H,3-7,10-11H2,1-2H3,(H,22,25)(H2,21,23,24)