3-butyl-2-[(E)-2-(5-methylfuran-2-yl)ethenyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-7-carboxylic acid

Systemtic Name: 3-butyl-2-[(E)-2-(5-methylfuran-2-yl)ethenyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-7-carboxylic acid Openeye Name: 3-butyl-2-[(E)-2-(5-methyl-2-furyl)vinyl]-4-oxo-pyrido[1,2-a]pyrimidine-7-carboxylic acid CAS Name: 3-butyl-2-[(E)-2-(5-methyl-2-furanyl)ethenyl]-4-oxo-7-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 3-butyl-2-[(E)-2-(5-methylfuran-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid Traditional Name: 3-butyl-4-keto-2-[(E)-2-(5-methyl-2-furyl)vinyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)C=CC3=CC=C(O3)C

Isomeric SMILES

CCCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)/C=C/C3=CC=C(O3)C

InChI

InChI=1S/C20H20N2O4/c1-3-4-5-16-17(10-9-15-8-6-13(2)26-15)21-18-11-7-14(20(24)25)12-22(18)19(16)23/h6-12H,3-5H2,1-2H3,(H,24,25)/b10-9+