ethyl 5-bromanyl-3-[[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]coumarilic acid ethyl ester Formula: C19H16BrClN4O5 MolecularWeight: 495.71114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C19H16BrClN4O5/c1-4-29-17(27)14-11(10-7-9(20)5-6-12(10)30-14)8-25-13-15(22-18(25)21)23(2)19(28)24(3)16(13)26/h5-7H,4,8H2,1-3H3