5-methylpyrimido[4,5-b]quinoline-2-thiolate; phenylmercury(1+)

Systemtic Name: 5-methylpyrimido[4,5-b]quinoline-2-thiolate; phenylmercury(1+) Openeye Name: 5-methylpyrimido[4,5-b]quinoline-2-thiolate; phenylmercury(1+) CAS Name: 5-methyl-2-pyrimido[4,5-b]quinolinethiolate; phenylmercury(1+) IUPAC Name: 5-methylpyrimido[4,5-b]quinoline-2-thiolate; phenylmercury(1+) Traditional Name: 5-methylpyrimido[4,5-b]quinoline-2-thiolate; phenylmercury(1+) Formula: C18H13HgN3S MolecularWeight: 503.97092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NC(=NC2=NC3=CC=CC=C13)[S-].C1=CC=C(C=C1)[Hg+]

Isomeric SMILES

CC1=C2C=NC(=NC2=NC3=CC=CC=C13)[S-].C1=CC=C(C=C1)[Hg+]

InChI

InChI=1S/C12H9N3S.C6H5.Hg/c1-7-8-4-2-3-5-10(8)14-11-9(7)6-13-12(16)15-11;1-2-4-6-5-3-1;/h2-6H,1H3,(H,13,14,15,16);1-5H;/q;;+1/p-1