2-methylpropyl 4-[(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: 2-methylpropyl 4-[(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)amino]benzoate Openeye Name: isobutyl 4-[[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)amino]benzoate Traditional Name: 4-[[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N5O4S/c1-15(2)13-33-24(30)17-8-10-18(11-9-17)28-22-21(29(31)32)23(27-14-26-22)34-19-7-3-5-16-6-4-12-25-20(16)19/h3-12,14-15H,13H2,1-2H3,(H,26,27,28)