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

Systemtic Name: 2-[6-azanyl-2-[(4-ethylphenyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(4-ethylanilino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(4-ethylanilino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-(4-ethylanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(4-ethylanilino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C18H22N6O4/c1-2-9-3-5-10(6-4-9)21-18-22-15(19)12-16(23-18)24(8-20-12)17-14(27)13(26)11(7-25)28-17/h3-6,8,11,13-14,17,25-27H,2,7H2,1H3,(H3,19,21,22,23)