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

Systemtic Name: 4-azanyl-7-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-6-bromanyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-bromo-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4-amino-6-bromo-7-(1,3-dihydroxypropan-2-yloxymethyl)-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-amino-6-bromo-7-(1,3-dihydroxypropan-2-yloxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4-amino-6-bromo-7-[(2-hydroxy-1-methylol-ethoxy)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C11H12BrN5O3 MolecularWeight: 342.14868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrN5O3/c12-9-7(1-13)8-10(14)15-4-16-11(8)17(9)5-20-6(2-18)3-19/h4,6,18-19H,2-3,5H2,(H2,14,15,16)