2-[6-azanyl-2-[(6-bromanyl-3,4-dihydro-2H-thiochromen-3-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-[(6-bromanyl-3,4-dihydro-2H-thiochromen-3-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[(6-bromothiochroman-3-yl)amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[(6-bromo-3,4-dihydro-2H-1-benzothiopyran-3-yl)amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[(6-bromo-3,4-dihydro-2H-thiochromen-3-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[(6-bromothiochroman-3-yl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C19H21BrN6O4S MolecularWeight: 509.37684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CSC2=C1C=C(C=C2)Br)NC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1C(CSC2=C1C=C(C=C2)Br)NC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C19H21BrN6O4S/c20-9-1-2-12-8(3-9)4-10(6-31-12)23-19-24-16(21)13-17(25-19)26(7-22-13)18-15(29)14(28)11(5-27)30-18/h1-3,7,10-11,14-15,18,27-29H,4-6H2,(H3,21,23,24,25)