8-bromanyl-7-(2-cyclopropyl-2-oxidanylidene-ethyl)-3-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-(2-cyclopropyl-2-oxidanylidene-ethyl)-3-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-bromo-7-(2-cyclopropyl-2-oxo-ethyl)-1-propyl-purine-2,6-dione CAS Name: 8-bromo-7-(2-cyclopropyl-2-oxoethyl)-3-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-bromo-7-(2-cyclopropyl-2-oxoethyl)-1-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-bromo-7-(2-cyclopropyl-2-keto-ethyl)-1-propyl-xanthine Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC(=O)C3CC3)Br)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC(=O)C3CC3)Br)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21BrN4O3/c1-2-10-23-18(27)16-17(22-19(21)24(16)12-15(26)14-8-9-14)25(20(23)28)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3