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

Systemtic Name: 4-(3,5-dimethylphenoxy)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(3,5-dimethylphenoxy)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-(3,5-dimethylphenoxy)-6-(4-methyl-1-piperazinyl)-5-nitropyrimidine IUPAC Name: 4-(3,5-dimethylphenoxy)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-(3,5-dimethylphenoxy)-6-(4-methylpiperazino)-5-nitro-pyrimidine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C)C

InChI

InChI=1S/C17H21N5O3/c1-12-8-13(2)10-14(9-12)25-17-15(22(23)24)16(18-11-19-17)21-6-4-20(3)5-7-21/h8-11H,4-7H2,1-3H3