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

Systemtic Name: methyl 3-[2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)SCC(=O)NC3=CC=CC(=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)SCC(=O)NC3=CC=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C18H18N4O3S2/c1-9-10(2)27-16-14(9)15(19)21-18(22-16)26-8-13(23)20-12-6-4-5-11(7-12)17(24)25-3/h4-7H,8H2,1-3H3,(H,20,23)(H2,19,21,22)