8-bromanyl-7-[(2-chlorophenyl)methyl]-3-methyl-1-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[(2-chlorophenyl)methyl]-3-methyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-(4-methylbenzyl)xanthine Formula: C21H18BrClN4O2 MolecularWeight: 473.75022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3CC4=CC=CC=C4Cl)Br)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3CC4=CC=CC=C4Cl)Br)N(C2=O)C

InChI

InChI=1S/C21H18BrClN4O2/c1-13-7-9-14(10-8-13)11-27-19(28)17-18(25(2)21(27)29)24-20(22)26(17)12-15-5-3-4-6-16(15)23/h3-10H,11-12H2,1-2H3