methyl 2-[methyl-[6-[methyl-(1-methylpiperidin-4-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[6-[methyl-(1-methylpiperidin-4-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[6-[methyl-(1-methyl-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[6-[methyl-(1-methyl-4-piperidinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[6-[methyl-(1-methylpiperidin-4-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[6-[methyl-(1-methyl-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])N(C)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])N(C)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H26N6O4/c1-23-11-9-14(10-12-23)24(2)18-17(26(28)29)19(22-13-21-18)25(3)16-8-6-5-7-15(16)20(27)30-4/h5-8,13-14H,9-12H2,1-4H3