2-[2-azanyl-5-(2-chloranyl-5-nitro-phenyl)pyrimidin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[2-azanyl-5-(2-chloranyl-5-nitro-phenyl)pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[2-amino-5-(2-chloro-5-nitro-phenyl)pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[2-amino-5-(2-chloro-5-nitrophenyl)-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[2-amino-5-(2-chloro-5-nitrophenyl)pyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[2-amino-5-(2-chloro-5-nitro-phenyl)pyrimidin-4-yl]thio]acetic acid Formula: C12H9ClN4O4S MolecularWeight: 340.74226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C2=CN=C(N=C2SCC(=O)O)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C2=CN=C(N=C2SCC(=O)O)N)Cl

InChI

InChI=1S/C12H9ClN4O4S/c13-9-2-1-6(17(20)21)3-7(9)8-4-15-12(14)16-11(8)22-5-10(18)19/h1-4H,5H2,(H,18,19)(H2,14,15,16)