2-azanyl-9-[3,4-bis(oxidanyl)-5-(propan-2-ylsulfanylmethyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3,4-bis(oxidanyl)-5-(propan-2-ylsulfanylmethyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(isopropylsulfanylmethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-[(propan-2-ylthio)methyl]-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(propan-2-ylsulfanylmethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[3,4-dihydroxy-5-[(isopropylthio)methyl]tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C13H19N5O4S MolecularWeight: 341.38606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

Isomeric SMILES

CC(C)SCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

InChI

InChI=1S/C13H19N5O4S/c1-5(2)23-3-6-8(19)9(20)12(22-6)18-4-15-7-10(18)16-13(14)17-11(7)21/h4-6,8-9,12,19-20H,3H2,1-2H3,(H3,14,16,17,21)