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

Systemtic Name: 2-azanyl-7-[2,3-bis(oxidanyl)propyl]-6-methylsulfanyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamide Openeye Name: 2-amino-7-(2,3-dihydroxypropyl)-6-methylsulfanyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamide CAS Name: 2-amino-7-(2,3-dihydroxypropyl)-6-(methylthio)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamide IUPAC Name: 2-amino-7-(2,3-dihydroxypropyl)-6-methylsulfanyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamide Traditional Name: 2-amino-7-glyceryl-4-keto-6-(methylthio)-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamide Formula: C11H15N5O4S MolecularWeight: 313.3329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N5O4S/c1-21-10-5(7(12)19)6-8(14-11(13)15-9(6)20)16(10)2-4(18)3-17/h4,17-18H,2-3H2,1H3,(H2,12,19)(H3,13,14,15,20)