1-[3-[[6-[(2,4-dimethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-[(2,4-dimethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(2,4-dimethoxyanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(2,4-dimethoxyanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5/c1-12(26)13-5-4-6-14(9-13)23-19-18(25(27)28)20(22-11-21-19)24-16-8-7-15(29-2)10-17(16)30-3/h4-11H,1-3H3,(H2,21,22,23,24)