8-bromanyl-3-methyl-7-[2-(3-methylphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-[2-(3-methylphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-[2-(m-tolyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-[2-(3-methylphenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-[2-(3-methylphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 8-bromo-7-[2-keto-2-(m-tolyl)ethyl]-3-methyl-xanthine Formula: C15H13BrN4O3 MolecularWeight: 377.19272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)CN2C3=C(N=C2Br)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)CN2C3=C(N=C2Br)N(C(=O)NC3=O)C

InChI

InChI=1S/C15H13BrN4O3/c1-8-4-3-5-9(6-8)10(21)7-20-11-12(17-14(20)16)19(2)15(23)18-13(11)22/h3-6H,7H2,1-2H3,(H,18,22,23)