2-methylpropyl 2-[4-oxidanylidene-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: 2-methylpropyl 2-[4-oxidanylidene-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: isobutyl 2-[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[4-oxo-5-(4-propoxyphenyl)-3-thieno[2,3-d]pyrimidinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid isobutyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OCC(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OCC(C)C

InChI

InChI=1S/C21H24N2O4S/c1-4-9-26-16-7-5-15(6-8-16)17-12-28-20-19(17)21(25)23(13-22-20)10-18(24)27-11-14(2)3/h5-8,12-14H,4,9-11H2,1-3H3