8-bromanyl-3-methyl-7-(3-methylbutyl)-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-(3-methylbutyl)-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-bromo-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-(3-methylbutyl)-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-bromo-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 1-benzyl-8-bromo-7-isoamyl-3-methyl-xanthine Formula: C18H21BrN4O2 MolecularWeight: 405.28894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H21BrN4O2/c1-12(2)9-10-22-14-15(20-17(22)19)21(3)18(25)23(16(14)24)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3