2-azanyl-6-bromanyl-7-[3-(hydroxymethyl)-4-oxidanyl-butyl]-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-6-bromanyl-7-[3-(hydroxymethyl)-4-oxidanyl-butyl]-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 2-amino-6-bromo-7-[4-hydroxy-3-(hydroxymethyl)butyl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 2-amino-6-bromo-7-[4-hydroxy-3-(hydroxymethyl)butyl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile IUPAC Name: 2-amino-6-bromo-7-[4-hydroxy-3-(hydroxymethyl)butyl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 2-amino-6-bromo-7-(4-hydroxy-3-methylol-butyl)-4-keto-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C12H14BrN5O3 MolecularWeight: 356.17526

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Descriptors Computed from Structure

Canonical SMILES:

C(CN1C2=C(C(=C1Br)C#N)C(=O)N=C(N2)N)C(CO)CO

Isomeric SMILES

C(CN1C2=C(C(=C1Br)C#N)C(=O)N=C(N2)N)C(CO)CO

InChI

InChI=1S/C12H14BrN5O3/c13-9-7(3-14)8-10(16-12(15)17-11(8)21)18(9)2-1-6(4-19)5-20/h6,19-20H,1-2,4-5H2,(H3,15,16,17,21)