propyl 4-[3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate

Systemtic Name: propyl 4-[3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate Openeye Name: propyl 4-[3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate CAS Name: 4-[[3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxopropyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate Traditional Name: 4-[3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoic acid propyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C(=C(S3)C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C(=C(S3)C)C

InChI

InChI=1S/C21H23N3O4S/c1-4-11-28-21(27)15-5-7-16(8-6-15)23-17(25)9-10-24-12-22-19-18(20(24)26)13(2)14(3)29-19/h5-8,12H,4,9-11H2,1-3H3,(H,23,25)