4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-(2-methyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-(2-methylpiperidino)-5-nitro-pyrimidine Formula: C18H21ClN4O3 MolecularWeight: 376.83734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)OC3=CC(=C(C(=C3)C)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)OC3=CC(=C(C(=C3)C)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN4O3/c1-11-8-14(9-12(2)15(11)19)26-18-16(23(24)25)17(20-10-21-18)22-7-5-4-6-13(22)3/h8-10,13H,4-7H2,1-3H3