3-({7-methyl-2,4,5,7-tetraazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaen-3-yl}sulfanyl)propanoic acid

CAS: 728884-17-1

Formula: C12H12N4O2S

SMILES: CN1C2=NN=C(SCCC(O)=O)N2C2=CC=CC=C12

IUPAC: 3-({7-methyl-2,4,5,7-tetraazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaen-3-yl}sulfanyl)propanoic acid

InChI: InChI=1S/C12H12N4O2S/c1-15-8-4-2-3-5-9(8)16-11(15)13-14-12(16)19-7-6-10(17)18/h2-5H,6-7H2,1H3,(H,17,18)

Composition: C (52.16%), H (4.38%), N (20.28%), O (11.58%), S (11.60%)

Molar Mass: 276.31

Atom Count: 31

Heavy Atom Count: 19