2-(hydroxymethyl)-5-[6-(indol-1-ylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(indol-1-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(indol-1-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(1-indolylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(indol-1-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-(indol-1-ylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2NC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2NC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C18H18N6O4/c25-7-12-14(26)15(27)18(28-12)23-9-21-13-16(19-8-20-17(13)23)22-24-6-5-10-3-1-2-4-11(10)24/h1-6,8-9,12,14-15,18,25-27H,7H2,(H,19,20,22)