cyclohexyl 2-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: cyclohexyl 2-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: cyclohexyl 2-(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 2-(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 2-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid cyclohexyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CCCCC1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OC1CCCCC1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3S/c1-14(21(25)26-16-10-6-3-7-11-16)23-13-22-19-18(20(23)24)17(12-27-19)15-8-4-2-5-9-15/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3