methyl 4-[(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-1-ium-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-1-ium-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-1-ium-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidin-1-iumyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-1-ium-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-1-ium-2-yl)thio]methyl]benzoic acid methyl ester Formula: C17H18N3O2S2+ MolecularWeight: 360.47372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=[NH+]C(=NC(=C12)N)SCC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=[NH+]C(=NC(=C12)N)SCC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C17H17N3O2S2/c1-9-10(2)24-15-13(9)14(18)19-17(20-15)23-8-11-4-6-12(7-5-11)16(21)22-3/h4-7H,8H2,1-3H3,(H2,18,19,20)/p+1