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

Systemtic Name: 2-[6-azanyl-2-(1H-indol-3-ylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(1H-indol-3-ylsulfanyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(1H-indol-3-ylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-(1H-indol-3-ylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(1H-indol-3-ylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H18N6O4S MolecularWeight: 414.43832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)SC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)SC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C18H18N6O4S/c19-15-12-16(24(7-21-12)17-14(27)13(26)10(6-25)28-17)23-18(22-15)29-11-5-20-9-4-2-1-3-8(9)11/h1-5,7,10,13-14,17,20,25-27H,6H2,(H2,19,22,23)