4-methylsulfonyl-2-[[5-nitro-6-[(2-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[[5-nitro-6-[(2-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]butanoic acid Openeye Name: 2-[[6-(2-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 4-methylsulfonyl-2-[[5-nitro-6-(2-propan-2-ylanilino)-4-pyrimidinyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[[5-nitro-6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]butanoic acid Traditional Name: 2-[[6-(2-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]-4-mesyl-butyric acid Formula: C18H23N5O6S MolecularWeight: 437.47012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC2=C(C(=NC=N2)NC(CCS(=O)(=O)C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC2=C(C(=NC=N2)NC(CCS(=O)(=O)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O6S/c1-11(2)12-6-4-5-7-13(12)21-16-15(23(26)27)17(20-10-19-16)22-14(18(24)25)8-9-30(3,28)29/h4-7,10-11,14H,8-9H2,1-3H3,(H,24,25)(H2,19,20,21,22)