methyl 4-[[5-methyl-4-oxidanylidene-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-6-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[5-methyl-4-oxidanylidene-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-6-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[5-methyl-4-oxo-3-(4-pyridylmethyl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate CAS Name: 4-[[[5-methyl-4-oxo-3-(pyridin-4-ylmethyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-methyl-4-oxo-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate Traditional Name: 4-[[4-keto-5-methyl-3-(4-pyridylmethyl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoic acid methyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=NC=C3)C(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=NC=C3)C(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H18N4O4S/c1-13-17-20(24-12-26(21(17)28)11-14-7-9-23-10-8-14)31-18(13)19(27)25-16-5-3-15(4-6-16)22(29)30-2/h3-10,12H,11H2,1-2H3,(H,25,27)