(2R)-4-methylsulfonyl-2-[[5-nitro-6-[phenyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoate

Systemtic Name: (2R)-4-methylsulfonyl-2-[[5-nitro-6-[phenyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoate Openeye Name: (2R)-2-[[6-(N-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]-4-methylsulfonyl-butanoate CAS Name: (2R)-4-methylsulfonyl-2-[[5-nitro-6-(N-propan-2-ylanilino)-4-pyrimidinyl]amino]butanoate IUPAC Name: (2R)-4-methylsulfonyl-2-[[5-nitro-6-(N-propan-2-ylanilino)pyrimidin-4-yl]amino]butanoate Traditional Name: (2R)-2-[[6-(N-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]-4-mesyl-butyrate Formula: C18H22N5O6S- MolecularWeight: 436.46218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC(CCS(=O)(=O)C)C(=O)[O-]

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N[C@H](CCS(=O)(=O)C)C(=O)[O-]

InChI

InChI=1S/C18H23N5O6S/c1-12(2)22(13-7-5-4-6-8-13)17-15(23(26)27)16(19-11-20-17)21-14(18(24)25)9-10-30(3,28)29/h4-8,11-12,14H,9-10H2,1-3H3,(H,24,25)(H,19,20,21)/p-1/t14-/m1/s1