4-(3,5-dimethylphenoxy)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(3,5-dimethylphenoxy)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(3,5-dimethylphenoxy)-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-(3,5-dimethylphenoxy)-6-(2-methyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-(3,5-dimethylphenoxy)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(3,5-dimethylphenoxy)-6-(2-methylpiperidino)-5-nitro-pyrimidine Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3/c1-12-8-13(2)10-15(9-12)25-18-16(22(23)24)17(19-11-20-18)21-7-5-4-6-14(21)3/h8-11,14H,4-7H2,1-3H3