8-(2-bromophenyl)-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(2-bromophenyl)-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(2-bromophenyl)-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-(2-bromophenyl)-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(2-bromophenyl)-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(2-bromophenyl)-7-(2-methoxyethyl)xanthine Formula: C21H19BrN4O3 MolecularWeight: 455.30456

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(N=C1C3=CC=CC=C3Br)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

COCCN1C2=C(N=C1C3=CC=CC=C3Br)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H19BrN4O3/c1-29-12-11-25-17-19(23-18(25)15-9-5-6-10-16(15)22)26(21(28)24-20(17)27)13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,24,27,28)