4-[4-oxidanylidene-2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]quinazolin-3-yl]butanoic acid

Systemtic Name: 4-[4-oxidanylidene-2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]quinazolin-3-yl]butanoic acid Openeye Name: 4-[4-oxo-2-[(E)-2-(2-pyrimidin-2-ylthiazol-4-yl)vinyl]quinazolin-3-yl]butanoic acid CAS Name: 4-[4-oxo-2-[(E)-2-[2-(2-pyrimidinyl)-4-thiazolyl]ethenyl]-3-quinazolinyl]butanoic acid IUPAC Name: 4-[4-oxo-2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]quinazolin-3-yl]butanoic acid Traditional Name: 4-[4-keto-2-[(E)-2-[2-(2-pyrimidyl)thiazol-4-yl]vinyl]quinazolin-3-yl]butyric acid Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=CSC(=N3)C4=NC=CC=N4)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CSC(=N3)C4=NC=CC=N4)CCCC(=O)O

InChI

InChI=1S/C21H17N5O3S/c27-18(28)7-3-12-26-17(25-16-6-2-1-5-15(16)21(26)29)9-8-14-13-30-20(24-14)19-22-10-4-11-23-19/h1-2,4-6,8-11,13H,3,7,12H2,(H,27,28)/b9-8+