6-(3,4-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,4-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dimethylphenoxy)-N-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C)C

InChI

InChI=1S/C17H22N6O3/c1-12-4-5-14(10-13(12)2)26-17-15(23(24)25)16(18-11-19-17)20-22-8-6-21(3)7-9-22/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,20)