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

Systemtic Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-piperidin-1-yl-pyrimidine Openeye Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-(1-piperidyl)pyrimidine CAS Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-piperidin-1-ylpyrimidine Traditional Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-piperidino-pyrimidine Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3)C

InChI

InChI=1S/C17H20N4O3/c1-12-8-13(2)10-14(9-12)24-17-15(21(22)23)16(18-11-19-17)20-6-4-3-5-7-20/h8-11H,3-7H2,1-2H3