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

Systemtic Name: methyl 2-[methyl-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-(propan-2-ylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=NC=N1)N(C)C2=CC=CC=C2C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C(=NC=N1)N(C)C2=CC=CC=C2C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4/c1-10(2)19-14-13(21(23)24)15(18-9-17-14)20(3)12-8-6-5-7-11(12)16(22)25-4/h5-10H,1-4H3,(H,17,18,19)