3-butyl-2-[(E)-2-(6-methylpyridin-2-yl)ethenyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-7-carboxylic acid

Systemtic Name: 3-butyl-2-[(E)-2-(6-methylpyridin-2-yl)ethenyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-7-carboxylic acid Openeye Name: 3-butyl-2-[(E)-2-(6-methyl-2-pyridyl)vinyl]-4-oxo-pyrido[1,2-a]pyrimidine-7-carboxylic acid CAS Name: 3-butyl-2-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-4-oxo-7-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 3-butyl-2-[(E)-2-(6-methylpyridin-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid Traditional Name: 3-butyl-4-keto-2-[(E)-2-(6-methyl-2-pyridyl)vinyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)C=CC3=NC(=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-3-4-8-17-18(11-10-16-7-5-6-14(2)22-16)23-19-12-9-15(21(26)27)13-24(19)20(17)25/h5-7,9-13H,3-4,8H2,1-2H3,(H,26,27)/b11-10+