(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(furan-2-carbonylamino)-4-methyl-benzoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-4-methylbenzoic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate Traditional Name: 3-(2-furoylamino)-4-methyl-benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H16BrN3O5 MolecularWeight: 482.28354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H16BrN3O5/c1-13-4-5-14(9-17(13)25-21(28)18-3-2-8-30-18)22(29)31-12-16-10-20(27)26-11-15(23)6-7-19(26)24-16/h2-11H,12H2,1H3,(H,25,28)