2-azanyl-7-[5-(methylsulfanyloxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-7-[5-(methylsulfanyloxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 2-amino-7-[3,4-dihydroxy-5-(methylsulfanyloxymethyl)pyrrolidin-2-yl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one CAS Name: methanesulfenic acid [5-(2-amino-4-oxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-2-pyrrolidinyl]methyl ester IUPAC Name: 2-amino-7-[3,4-dihydroxy-5-(methylsulfanyloxymethyl)pyrrolidin-2-yl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 2-amino-7-[3,4-dihydroxy-5-[(methylthio)oxymethyl]pyrrolidin-2-yl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one Formula: C12H17N5O4S MolecularWeight: 327.35948

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Descriptors Computed from Structure

Canonical SMILES:

CSOCC1C(C(C(N1)C2=CNC3=C2NC(=NC3=O)N)O)O

Isomeric SMILES

CSOCC1C(C(C(N1)C2=CNC3=C2NC(=NC3=O)N)O)O

InChI

InChI=1S/C12H17N5O4S/c1-22-21-3-5-9(18)10(19)7(15-5)4-2-14-8-6(4)16-12(13)17-11(8)20/h2,5,7,9-10,14-15,18-19H,3H2,1H3,(H3,13,16,17,20)