4-(7-chloranyl-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)spiro[2.4]hept-5-en-7-ol; ethanoic acid

Systemtic Name: 4-(7-chloranyl-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)spiro[2.4]hept-5-en-7-ol; ethanoic acid Openeye Name: acetic acid; 4-(7-chloro-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl)spiro[2.4]hept-5-en-7-ol CAS Name: acetic acid; 4-[7-chloro-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-7-spiro[2.4]hept-5-enol IUPAC Name: acetic acid; 4-(7-chloro-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)spiro[2.4]hept-5-en-7-ol Traditional Name: acetic acid; 4-[7-chloro-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]spiro[2.4]hept-5-en-7-ol Formula: C16H20ClN5O3S MolecularWeight: 397.8797

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)Cl)N=NN2C3C=CC(C34CC4)O.CC(=O)O

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)Cl)N=NN2C3C=CC(C34CC4)O.CC(=O)O

InChI

InChI=1S/C14H16ClN5OS.C2H4O2/c1-2-7-22-13-16-11(15)10-12(17-13)20(19-18-10)8-3-4-9(21)14(8)5-6-14;1-2(3)4/h3-4,8-9,21H,2,5-7H2,1H3;1H3,(H,3,4)