N-(2,3-dimethylphenyl)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2,3-dimethylphenyl)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,3-dimethylphenyl)-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,3-dimethylphenyl)-6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,3-dimethylphenyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (2,3-dimethylphenyl)-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=CC(=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=CC(=C3C)C)[N+](=O)[O-]

InChI

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