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

Systemtic Name: 2-methylpropyl 2-[4-oxidanylidene-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: isobutyl 2-[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[4-oxo-5-(4-propoxyphenyl)-3-thieno[2,3-d]pyrimidinyl]butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[4-keto-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]butyric acid isobutyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-5-11-28-17-9-7-16(8-10-17)18-13-30-21-20(18)22(26)25(14-24-21)19(6-2)23(27)29-12-15(3)4/h7-10,13-15,19H,5-6,11-12H2,1-4H3