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

Systemtic Name: 4-azanyl-7-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-6-bromanyl-pyrrolo[2,3-d]pyrimidine-5-carboxamide Openeye Name: 4-amino-6-bromo-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide CAS Name: 4-amino-6-bromo-7-(1,3-dihydroxypropan-2-yloxymethyl)-5-pyrrolo[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-amino-6-bromo-7-(1,3-dihydroxypropan-2-yloxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide Traditional Name: 4-amino-6-bromo-7-[(2-hydroxy-1-methylol-ethoxy)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide Formula: C11H14BrN5O4 MolecularWeight: 360.16396

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=C(N2COC(CO)CO)Br)C(=O)N)C(=N1)N

Isomeric SMILES

C1=NC2=C(C(=C(N2COC(CO)CO)Br)C(=O)N)C(=N1)N

InChI

InChI=1S/C11H14BrN5O4/c12-8-6(10(14)20)7-9(13)15-3-16-11(7)17(8)4-21-5(1-18)2-19/h3,5,18-19H,1-2,4H2,(H2,14,20)(H2,13,15,16)