2-azanyl-7-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-6-methylsulfanyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

Systemtic Name: 2-azanyl-7-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-6-methylsulfanyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamide Openeye Name: 2-amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-methylsulfanyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamide CAS Name: 2-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-6-(methylthio)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamide IUPAC Name: 2-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-6-methylsulfanyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamide Traditional Name: 2-amino-7-[(2-hydroxy-1-methylol-ethoxy)methyl]-4-keto-6-(methylthio)-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamide Formula: C12H17N5O5S MolecularWeight: 343.35888

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(N1COC(CO)CO)NC(=NC2=O)N)C(=O)N

Isomeric SMILES

CSC1=C(C2=C(N1COC(CO)CO)NC(=NC2=O)N)C(=O)N

InChI

InChI=1S/C12H17N5O5S/c1-23-11-6(8(13)20)7-9(15-12(14)16-10(7)21)17(11)4-22-5(2-18)3-19/h5,18-19H,2-4H2,1H3,(H2,13,20)(H3,14,15,16,21)