(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=C(OC(=C3C#N)N4C=CC=C4)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=C(OC(=C3C#N)N4C=CC=C4)C)C=C1

InChI

InChI=1S/C21H16N4O4/c1-13-5-6-17-23-15(9-18(26)25(17)11-13)12-28-21(27)19-14(2)29-20(16(19)10-22)24-7-3-4-8-24/h3-9,11H,12H2,1-2H3