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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)OC3=CC(=C(C(=C3)C)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)OC3=CC(=C(C(=C3)C)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN4O3/c1-11-5-4-6-22(9-11)17-16(23(24)25)18(21-10-20-17)26-14-7-12(2)15(19)13(3)8-14/h7-8,10-11H,4-6,9H2,1-3H3