(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate CAS Name: 2,3-dimethyl-1H-indole-5-carboxylic 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 2,3-dimethyl-1H-indole-5-carboxylate Traditional Name: 2,3-dimethyl-1H-indole-5-carboxylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H16BrN3O3 MolecularWeight: 426.26334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br)C

InChI

InChI=1S/C20H16BrN3O3/c1-11-12(2)22-17-5-3-13(7-16(11)17)20(26)27-10-15-8-19(25)24-9-14(21)4-6-18(24)23-15/h3-9,22H,10H2,1-2H3