8-bromanyl-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine Formula: C19H19BrN4O3 MolecularWeight: 431.28316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C19H19BrN4O3/c1-12(2)9-10-23-15-16(21-18(23)20)22(3)19(27)24(17(15)26)11-14(25)13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3