(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic 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-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H22Br2N2O3 MolecularWeight: 510.21898

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC4=CC(=O)N5C=C(C=CC5=N4)Br

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC4=CC(=O)N5C=C(C=CC5=N4)Br

InChI

InChI=1S/C21H22Br2N2O3/c22-15-1-2-17-24-16(4-18(26)25(17)10-15)11-28-19(27)9-20-5-13-3-14(6-20)8-21(23,7-13)12-20/h1-2,4,10,13-14H,3,5-9,11-12H2