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

Systemtic Name: 2-azanyl-7-[2,4-bis(oxidanyl)butyl]-6-methylsulfanyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 2-amino-7-(2,4-dihydroxybutyl)-6-methylsulfanyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 2-amino-7-(2,4-dihydroxybutyl)-6-(methylthio)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile IUPAC Name: 2-amino-7-(2,4-dihydroxybutyl)-6-methylsulfanyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 2-amino-7-(2,4-dihydroxybutyl)-4-keto-6-(methylthio)-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O3S/c1-21-11-7(4-13)8-9(15-12(14)16-10(8)20)17(11)5-6(19)2-3-18/h6,18-19H,2-3,5H2,1H3,(H3,14,15,16,20)