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

Systemtic Name: butyl 3-[2-(6-aminocarbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S/c1-3-4-8-30-21(29)13-6-5-7-14(9-13)24-15(26)10-25-11-23-19-16(20(25)28)12(2)17(31-19)18(22)27/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,22,27)(H,24,26)