N-(4-bromanyl-3-methyl-phenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine Openeye Name: N-(4-bromo-3-methyl-phenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine CAS Name: N-(4-bromo-3-methylphenyl)-6-methyl-2-(4-nitro-1-pyrazolyl)-4-pyrimidinamine IUPAC Name: N-(4-bromo-3-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine Traditional Name: (4-bromo-3-methyl-phenyl)-[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amine Formula: C15H13BrN6O2 MolecularWeight: 389.20672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C15H13BrN6O2/c1-9-5-11(3-4-13(9)16)19-14-6-10(2)18-15(20-14)21-8-12(7-17-21)22(23)24/h3-8H,1-2H3,(H,18,19,20)