3-methylbutyl 2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: 3-methylbutyl 2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: isopentyl 2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 2-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid isoamyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)OCCC(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)OCCC(C)C)C

InChI

InChI=1S/C16H22N2O3S/c1-9(2)6-7-21-16(20)11(4)18-8-17-14-13(15(18)19)10(3)12(5)22-14/h8-9,11H,6-7H2,1-5H3