(E)-3-[4-oxidanylidene-8-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-yl-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-oxidanylidene-8-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-yl-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[8-[2-(4-isopropylthiazol-2-yl)ethyl]-4-oxo-2-(3-pyridyl)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid CAS Name: (E)-3-[4-oxo-8-[2-(4-propan-2-yl-2-thiazolyl)ethyl]-2-(3-pyridinyl)-3-pyrido[1,2-a]pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[4-oxo-8-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[8-[2-(4-isopropylthiazol-2-yl)ethyl]-4-keto-2-(3-pyridyl)pyrido[1,2-a]pyrimidin-3-yl]acrylic acid Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)CCC2=CC3=NC(=C(C(=O)N3C=C2)C=CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CSC(=N1)CCC2=CC3=NC(=C(C(=O)N3C=C2)/C=C/C(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C24H22N4O3S/c1-15(2)19-14-32-21(26-19)7-5-16-9-11-28-20(12-16)27-23(17-4-3-10-25-13-17)18(24(28)31)6-8-22(29)30/h3-4,6,8-15H,5,7H2,1-2H3,(H,29,30)/b8-6+