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

Systemtic Name: 2-methylpropyl 2-[5-(4-ethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: isobutyl 2-[5-(4-ethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[5-(4-ethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[5-(4-ethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]butyric acid isobutyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C(CC)C(=O)OCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C(CC)C(=O)OCC(C)C

InChI

InChI=1S/C22H26N2O3S/c1-5-15-7-9-16(10-8-15)17-12-28-20-19(17)21(25)24(13-23-20)18(6-2)22(26)27-11-14(3)4/h7-10,12-14,18H,5-6,11H2,1-4H3