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

Systemtic Name: 8-bromanyl-3-methyl-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-bromo-3-methyl-1-propyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-bromo-3-methyl-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-bromo-3-methyl-1-propyl-xanthine Formula: C16H17BrN4O2 MolecularWeight: 377.23578

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C

InChI

InChI=1S/C16H17BrN4O2/c1-3-9-20-14(22)12-13(19(2)16(20)23)18-15(17)21(12)10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3