methyl 4-[[8-bromanyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[8-bromanyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]benzoate Openeye Name: methyl 4-[(8-bromo-3,7-dimethyl-2,6-dioxo-purin-1-yl)methyl]benzoate CAS Name: 4-[(8-bromo-3,7-dimethyl-2,6-dioxo-1-purinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(8-bromo-3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]benzoate Traditional Name: 4-[(8-bromo-2,6-diketo-3,7-dimethyl-purin-1-yl)methyl]benzoic acid methyl ester Formula: C16H15BrN4O4 MolecularWeight: 407.2187

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C16H15BrN4O4/c1-19-11-12(18-15(19)17)20(2)16(24)21(13(11)22)8-9-4-6-10(7-5-9)14(23)25-3/h4-7H,8H2,1-3H3