N-[2-(2,3-dimethoxyphenyl)ethyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[2-(2,3-dimethoxyphenyl)ethyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-(2,3-dimethoxyphenyl)ethyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(2,3-dimethoxyphenyl)ethyl]-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-(2,3-dimethoxyphenyl)ethyl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 2-(2,3-dimethoxyphenyl)ethyl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H26N6O4 MolecularWeight: 402.44754

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCCC3=C(C(=CC=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCCC3=C(C(=CC=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H26N6O4/c1-23-9-11-24(12-10-23)19-16(25(26)27)18(21-13-22-19)20-8-7-14-5-4-6-15(28-2)17(14)29-3/h4-6,13H,7-12H2,1-3H3,(H,20,21,22)