2-(6-aminopurin-9-yl)-5-[[(4-butan-2-ylphenyl)amino]oxymethyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[[(4-butan-2-ylphenyl)amino]oxymethyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[(4-sec-butylanilino)oxymethyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[(4-butan-2-ylanilino)oxymethyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-[(4-butan-2-ylanilino)oxymethyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[(4-sec-butylanilino)oxymethyl]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)NOCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NOCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

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