methyl 2-[methyl-[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(4-isopropylanilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-(4-propan-2-ylanilino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[(6-cumidino-5-nitro-pyrimidin-4-yl)-methyl-amino]benzoic acid methyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-14(2)15-9-11-16(12-10-15)25-20-19(27(29)30)21(24-13-23-20)26(3)18-8-6-5-7-17(18)22(28)31-4/h5-14H,1-4H3,(H,23,24,25)