8-bromanyl-7-(3-oxidanylidenebutan-2-yl)-3-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-(3-oxidanylidenebutan-2-yl)-3-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-bromo-7-(1-methyl-2-oxo-propyl)-1-propyl-purine-2,6-dione CAS Name: 8-bromo-7-(3-oxobutan-2-yl)-3-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-bromo-7-(3-oxobutan-2-yl)-1-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-bromo-7-(2-keto-1-methyl-propyl)-1-propyl-xanthine Formula: C19H21BrN4O3 MolecularWeight: 433.29904

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2C(C)C(=O)C)Br)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2C(C)C(=O)C)Br)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21BrN4O3/c1-4-10-22-17(26)15-16(21-18(20)24(15)12(2)13(3)25)23(19(22)27)11-14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3