N-(5-chloranyl-2-methyl-phenyl)-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2-methyl-phenyl)-6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2-methylphenyl)-6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2-methylphenyl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2-methyl-phenyl)-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H22ClN5O2 MolecularWeight: 375.85258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)NC3=C(C=CC(=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)NC3=C(C=CC(=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClN5O2/c1-3-14-6-4-5-9-23(14)18-16(24(25)26)17(20-11-21-18)22-15-10-13(19)8-7-12(15)2/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,20,21,22)