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

Systemtic Name: 2-[4-oxidanylidene-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]butanoic acid Openeye Name: 2-[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]butanoic acid CAS Name: 2-[4-oxo-5-(4-propoxyphenyl)-3-thieno[2,3-d]pyrimidinyl]butanoic acid IUPAC Name: 2-[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]butanoic acid Traditional Name: 2-[4-keto-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]butyric acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-3-9-25-13-7-5-12(6-8-13)14-10-26-17-16(14)18(22)21(11-20-17)15(4-2)19(23)24/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,23,24)