ethyl 3-[[6-[methyl-(1-methylpiperidin-4-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[methyl-(1-methylpiperidin-4-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-[methyl-(1-methyl-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[methyl-(1-methyl-4-piperidinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-[methyl-(1-methylpiperidin-4-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-[methyl-(1-methyl-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)N(C)C3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)N(C)C3CCN(CC3)C)[N+](=O)[O-]

InChI

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