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

Systemtic Name: 4-azanyl-7-[1,3-bis(oxidanyl)propoxymethyl]-6-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-5-carboxamide Openeye Name: 4-amino-7-(1,3-dihydroxypropoxymethyl)-6-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-5-carboxamide CAS Name: 4-amino-7-(1,3-dihydroxypropoxymethyl)-6-(methylthio)-5-pyrrolo[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-amino-7-(1,3-dihydroxypropoxymethyl)-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carboxamide Traditional Name: 4-amino-7-(1,3-dihydroxypropoxymethyl)-6-(methylthio)pyrrolo[2,3-d]pyrimidine-5-carboxamide Formula: C12H17N5O4S MolecularWeight: 327.35948

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(N1COC(CCO)O)N=CN=C2N)C(=O)N

Isomeric SMILES

CSC1=C(C2=C(N1COC(CCO)O)N=CN=C2N)C(=O)N

InChI

InChI=1S/C12H17N5O4S/c1-22-12-8(10(14)20)7-9(13)15-4-16-11(7)17(12)5-21-6(19)2-3-18/h4,6,18-19H,2-3,5H2,1H3,(H2,14,20)(H2,13,15,16)