N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,5-dimethylphenyl)-6-(4-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,5-dimethylphenyl)-6-(4-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (2,5-dimethylphenyl)-[6-(4-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O2/c1-12-6-8-22(9-7-12)18-16(23(24)25)17(19-11-20-18)21-15-10-13(2)4-5-14(15)3/h4-5,10-12H,6-9H2,1-3H3,(H,19,20,21)