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

Systemtic Name: 2-[6-azanyl-2-[(4-butan-2-ylphenyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(4-sec-butylanilino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(4-butan-2-ylanilino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-(4-butan-2-ylanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(4-sec-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O4/c1-3-10(2)11-4-6-12(7-5-11)23-20-24-17(21)14-18(25-20)26(9-22-14)19-16(29)15(28)13(8-27)30-19/h4-7,9-10,13,15-16,19,27-29H,3,8H2,1-2H3,(H3,21,23,24,25)