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

Systemtic Name: propyl 3-[(2,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: propyl 3-[(2,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 3-[(2,5,6-trimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid propyl ester IUPAC Name: propyl 3-[(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 3-[(4-keto-2,5,6-trimethyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid propyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)CN2C(=NC3=C(C2=O)C(=C(S3)C)C)C

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)CN2C(=NC3=C(C2=O)C(=C(S3)C)C)C

InChI

InChI=1S/C20H22N2O3S/c1-5-9-25-20(24)16-8-6-7-15(10-16)11-22-14(4)21-18-17(19(22)23)12(2)13(3)26-18/h6-8,10H,5,9,11H2,1-4H3