ethyl (E)-4-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]but-2-enoate

Systemtic Name: ethyl (E)-4-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]but-2-enoate Openeye Name: ethyl (E)-4-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)but-2-enoate CAS Name: (E)-4-(8-bromo-1,3-dimethyl-2,6-dioxo-7-purinyl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)but-2-enoate Traditional Name: (E)-4-(8-bromo-2,6-diketo-1,3-dimethyl-purin-7-yl)but-2-enoic acid ethyl ester Formula: C13H15BrN4O4 MolecularWeight: 371.1866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCOC(=O)/C=C/CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H15BrN4O4/c1-4-22-8(19)6-5-7-18-9-10(15-12(18)14)16(2)13(21)17(3)11(9)20/h5-6H,4,7H2,1-3H3/b6-5+