N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,5-dimethoxyphenyl)-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (2,5-dimethoxyphenyl)-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O4/c1-21-6-8-22(9-7-21)17-15(23(24)25)16(18-11-19-17)20-13-10-12(26-2)4-5-14(13)27-3/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,20)