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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=NC=N1)N(C)C2=CC=CC=C2C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=NC=N1)N(C)C2=CC=CC=C2C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4/c1-4-9-17-14-13(21(23)24)15(19-10-18-14)20(2)12-8-6-5-7-11(12)16(22)25-3/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)