5-azanyl-3-[2-(4-ethylphenoxy)ethylsulfanyl]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Systemtic Name: 5-azanyl-3-[2-(4-ethylphenoxy)ethylsulfanyl]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 5-amino-3-[2-(4-ethylphenoxy)ethylsulfanyl]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 5-amino-3-[2-(4-ethylphenoxy)ethylthio]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 5-amino-3-[2-(4-ethylphenoxy)ethylsulfanyl]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 5-amino-3-[2-(4-ethylphenoxy)ethylthio]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCSC2=NNC3=NC(=O)C=C(N32)N

Isomeric SMILES

CCC1=CC=C(C=C1)OCCSC2=NNC3=NC(=O)C=C(N32)N

InChI

InChI=1S/C15H17N5O2S/c1-2-10-3-5-11(6-4-10)22-7-8-23-15-19-18-14-17-13(21)9-12(16)20(14)15/h3-6,9H,2,7-8,16H2,1H3,(H,17,18,21)