5-(2-propoxy-5-propylsulfonyl-phenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-(2-propoxy-5-propylsulfonyl-phenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(2-propoxy-5-propylsulfonyl-phenyl)triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(2-propoxy-5-propylsulfonylphenyl)-7-triazolo[4,5-d]pyrimidinone IUPAC Name: 5-(2-propoxy-5-propylsulfonylphenyl)triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(2-propoxy-5-propylsulfonyl-phenyl)triazolo[4,5-d]pyrimidin-7-one Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)CCC)C2=NC(=O)C3=NN=NC3=N2

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)CCC)C2=NC(=O)C3=NN=NC3=N2

InChI

InChI=1S/C16H17N5O4S/c1-3-7-25-12-6-5-10(26(23,24)8-4-2)9-11(12)14-17-15-13(16(22)18-14)19-21-20-15/h5-6,9H,3-4,7-8H2,1-2H3