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

Systemtic Name: 2-[6-azanyl-8-(ethylamino)-2-hex-1-ynyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-8-(ethylamino)-2-hex-1-ynyl-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-8-(ethylamino)-2-hex-1-ynyl-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-8-(ethylamino)-2-hex-1-ynylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-8-(ethylamino)-2-hex-1-ynyl-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H26N6O4 MolecularWeight: 390.43684

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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)NCC

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O4/c1-3-5-6-7-8-11-21-15(19)12-16(22-11)24(18(23-12)20-4-2)17-14(27)13(26)10(9-25)28-17/h10,13-14,17,25-27H,3-6,9H2,1-2H3,(H,20,23)(H2,19,21,22)