ethyl 3-[2-(6-aminocarbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(6-aminocarbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(6-carbamoyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 3-[[2-(6-carbamoyl-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(6-carbamoyl-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(6-carbamoyl-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid ethyl ester Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)N)C

InChI

InChI=1S/C19H18N4O5S/c1-3-28-19(27)11-5-4-6-12(7-11)22-13(24)8-23-9-21-17-14(18(23)26)10(2)15(29-17)16(20)25/h4-7,9H,3,8H2,1-2H3,(H2,20,25)(H,22,24)