2-[4-[(6-chloranyl-5-nitro-2-propylsulfanyl-pyrimidin-4-yl)amino]cyclopent-2-en-1-yl]oxyethanoic acid

Systemtic Name: 2-[4-[(6-chloranyl-5-nitro-2-propylsulfanyl-pyrimidin-4-yl)amino]cyclopent-2-en-1-yl]oxyethanoic acid Openeye Name: 2-[4-[(6-chloro-5-nitro-2-propylsulfanyl-pyrimidin-4-yl)amino]cyclopent-2-en-1-yl]oxyacetic acid CAS Name: 2-[[4-[[6-chloro-5-nitro-2-(propylthio)-4-pyrimidinyl]amino]-1-cyclopent-2-enyl]oxy]acetic acid IUPAC Name: 2-[4-[(6-chloro-5-nitro-2-propylsulfanylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]oxyacetic acid Traditional Name: 2-[4-[[6-chloro-5-nitro-2-(propylthio)pyrimidin-4-yl]amino]cyclopent-2-en-1-yl]oxyacetic acid Formula: C14H17ClN4O5S MolecularWeight: 388.82658

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])NC2CC(C=C2)OCC(=O)O

Isomeric SMILES

CCCSC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])NC2CC(C=C2)OCC(=O)O

InChI

InChI=1S/C14H17ClN4O5S/c1-2-5-25-14-17-12(15)11(19(22)23)13(18-14)16-8-3-4-9(6-8)24-7-10(20)21/h3-4,8-9H,2,5-7H2,1H3,(H,20,21)(H,16,17,18)