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

Systemtic Name: 2-azanyl-7-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-6-methylsulfanyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 2-amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-methylsulfanyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 2-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-6-(methylthio)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile IUPAC Name: 2-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-6-methylsulfanyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 2-amino-7-[(2-hydroxy-1-methylol-ethoxy)methyl]-4-keto-6-(methylthio)-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C12H15N5O4S MolecularWeight: 325.3436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O4S/c1-22-11-7(2-13)8-9(15-12(14)16-10(8)20)17(11)5-21-6(3-18)4-19/h6,18-19H,3-5H2,1H3,(H3,14,15,16,20)