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

Systemtic Name: 4-azanyl-7-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-6-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4-amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-6-(methylthio)-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4-amino-7-[(2-hydroxy-1-methylol-ethoxy)methyl]-6-(methylthio)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(N1COC(CO)CO)N=CN=C2N)C#N

Isomeric SMILES

CSC1=C(C2=C(N1COC(CO)CO)N=CN=C2N)C#N

InChI

InChI=1S/C12H15N5O3S/c1-21-12-8(2-13)9-10(14)15-5-16-11(9)17(12)6-20-7(3-18)4-19/h5,7,18-19H,3-4,6H2,1H3,(H2,14,15,16)