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

Systemtic Name: 4-azanyl-7-[2,4-bis(oxidanyl)butyl]-6-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4-amino-7-(2,4-dihydroxybutyl)-6-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4-amino-7-(2,4-dihydroxybutyl)-6-(methylthio)-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-amino-7-(2,4-dihydroxybutyl)-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4-amino-7-(2,4-dihydroxybutyl)-6-(methylthio)pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(N1CC(CCO)O)N=CN=C2N)C#N

Isomeric SMILES

CSC1=C(C2=C(N1CC(CCO)O)N=CN=C2N)C#N

InChI

InChI=1S/C12H15N5O2S/c1-20-12-8(4-13)9-10(14)15-6-16-11(9)17(12)5-7(19)2-3-18/h6-7,18-19H,2-3,5H2,1H3,(H2,14,15,16)