6-azanyl-9-[5-(ethylsulfanylmethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-2-one

Systemtic Name: 6-azanyl-9-[5-(ethylsulfanylmethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-2-one Openeye Name: 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1H-purin-2-one CAS Name: 6-amino-9-[5-[(ethylthio)methyl]-3,4-dihydroxy-2-oxolanyl]-1H-purin-2-one IUPAC Name: 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-2-one Traditional Name: 6-amino-9-[5-[(ethylthio)methyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-1H-purin-2-one Formula: C12H17N5O4S MolecularWeight: 327.35948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCC1C(C(C(O1)N2C=NC3=C(NC(=O)N=C32)N)O)O

Isomeric SMILES

CCSCC1C(C(C(O1)N2C=NC3=C(NC(=O)N=C32)N)O)O

InChI

InChI=1S/C12H17N5O4S/c1-2-22-3-5-7(18)8(19)11(21-5)17-4-14-6-9(13)15-12(20)16-10(6)17/h4-5,7-8,11,18-19H,2-3H2,1H3,(H3,13,15,16,20)