N-(4-butylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine

Systemtic Name: N-(4-butylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-6-methyl-2-(4-nitro-1-pyrazolyl)-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine Traditional Name: (4-butylphenyl)-[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amine Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O2/c1-3-4-5-14-6-8-15(9-7-14)21-17-10-13(2)20-18(22-17)23-12-16(11-19-23)24(25)26/h6-12H,3-5H2,1-2H3,(H,20,21,22)