이름: 2-(2-methoxy-4-methylmercapto-phenyl)-5H-imidazo[4,5-d]pyridazin-4-one

IUPAC: 2-(2-methoxy-4-methylsulfanylphenyl)-3,6-dihydroimidazo[4,5-d]pyridazin-1-ium-7-one

SMILES: COc1cc(SC)ccc1-c1nc2c[nH][nH]c(=O)c-2n1

Canonical SMILES: COC1=C(C=CC(=C1)SC)C2=[NH+]C3=C(N2)C=NNC3=O

분자식: C13H13N4O2S+

분자량: 289.34

InChIKey: VXZXETTXSHPCQR-UHFFFAOYSA-O

InChI: InChI=1S/C13H12N4O2S/c1-19-10-5-7(20-2)3-4-8(10)12-15-9-6-14-17-13(18)11(9)16-12/h3-6H,1-2H3,(H,15,16)(H,17,18)/p+1

동의어

SCHEMBL10688591

확장 검색