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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NC3=CC=CC(=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NC3=CC=CC(=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O2/c1-12-7-6-9-15(14(12)3)21-17-16(23(24)25)18(20-11-19-17)22-10-5-4-8-13(22)2/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,19,20,21)