5-[[(5-bromanyl-2-methyl-4-oxidanylidene-1H-pyrimidin-6-yl)amino]methyl]pyridine-3-carbonitrile

Systemtic Name: 5-[[(5-bromanyl-2-methyl-4-oxidanylidene-1H-pyrimidin-6-yl)amino]methyl]pyridine-3-carbonitrile Openeye Name: 5-[[(5-bromo-2-methyl-4-oxo-1H-pyrimidin-6-yl)amino]methyl]pyridine-3-carbonitrile CAS Name: 5-[[(5-bromo-2-methyl-4-oxo-1H-pyrimidin-6-yl)amino]methyl]-3-pyridinecarbonitrile IUPAC Name: 5-[[(5-bromo-2-methyl-4-oxo-1H-pyrimidin-6-yl)amino]methyl]pyridine-3-carbonitrile Traditional Name: 5-[[(5-bromo-4-keto-2-methyl-1H-pyrimidin-6-yl)amino]methyl]nicotinonitrile Formula: C12H10BrN5O MolecularWeight: 320.1447

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)NCC2=CN=CC(=C2)C#N)Br

Isomeric SMILES

CC1=NC(=O)C(=C(N1)NCC2=CN=CC(=C2)C#N)Br

InChI

InChI=1S/C12H10BrN5O/c1-7-17-11(10(13)12(19)18-7)16-6-9-2-8(3-14)4-15-5-9/h2,4-5H,6H2,1H3,(H2,16,17,18,19)