2-[6-azanyl-2-[(4-butylphenyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-[(4-butylphenyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(4-butylanilino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(4-butylanilino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-(4-butylanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(4-butylanilino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C20H26N6O4/c1-2-3-4-11-5-7-12(8-6-11)23-20-24-17(21)14-18(25-20)26(10-22-14)19-16(29)15(28)13(9-27)30-19/h5-8,10,13,15-16,19,27-29H,2-4,9H2,1H3,(H3,21,23,24,25)