2-(6-azanyl-8-pyrimidin-2-ylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-azanyl-8-pyrimidin-2-ylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-(6-amino-8-pyrimidin-2-ylsulfanyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-8-(2-pyrimidinylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-amino-8-pyrimidin-2-ylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-8-(2-pyrimidylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C14H15N7O4S MolecularWeight: 377.3784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3N

Isomeric SMILES

C1=CN=C(N=C1)SC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3N

InChI

InChI=1S/C14H15N7O4S/c15-10-7-11(19-5-18-10)21(12-9(24)8(23)6(4-22)25-12)14(20-7)26-13-16-2-1-3-17-13/h1-3,5-6,8-9,12,22-24H,4H2,(H2,15,18,19)