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

Systemtic Name: 2-azanyl-7-[2,3-bis(oxidanyl)propyl]-6-methylsulfanyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 2-amino-7-(2,3-dihydroxypropyl)-6-methylsulfanyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 2-amino-7-(2,3-dihydroxypropyl)-6-(methylthio)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile IUPAC Name: 2-amino-7-(2,3-dihydroxypropyl)-6-methylsulfanyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 2-amino-7-glyceryl-4-keto-6-(methylthio)-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C11H13N5O3S MolecularWeight: 295.31762

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(N1CC(CO)O)NC(=NC2=O)N)C#N

Isomeric SMILES

CSC1=C(C2=C(N1CC(CO)O)NC(=NC2=O)N)C#N

InChI

InChI=1S/C11H13N5O3S/c1-20-10-6(2-12)7-8(14-11(13)15-9(7)19)16(10)3-5(18)4-17/h5,17-18H,3-4H2,1H3,(H3,13,14,15,19)