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

Systemtic Name: methyl 2-[methyl-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

InChI

InChI=1S/C19H19N5O4S/c1-23(15-8-4-3-7-14(15)19(25)28-2)18-16(24(26)27)17(21-12-22-18)20-10-9-13-6-5-11-29-13/h3-8,11-12H,9-10H2,1-2H3,(H,20,21,22)