2-methylpropyl 4-[(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: 2-methylpropyl 4-[(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]benzoate Openeye Name: isobutyl 4-[(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[[5-nitro-6-(phenylthio)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(5-nitro-6-phenylsulfanylpyrimidin-4-yl)amino]benzoate Traditional Name: 4-[[5-nitro-6-(phenylthio)pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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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=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S/c1-14(2)12-29-21(26)15-8-10-16(11-9-15)24-19-18(25(27)28)20(23-13-22-19)30-17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,22,23,24)