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

Systemtic Name: 2-azanyl-9-[5-(methylsulfanylmethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(methylsulfanylmethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-[(methylthio)methyl]-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[3,4-dihydroxy-5-[(methylthio)methyl]tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C11H15N5O4S MolecularWeight: 313.3329

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

Isomeric SMILES

CSCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

InChI

InChI=1S/C11H15N5O4S/c1-21-2-4-6(17)7(18)10(20-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)