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

Systemtic Name: 8-bromanyl-3-methyl-7-(phenylmethyl)-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-7-benzyl-8-bromo-3-methyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-(phenylmethyl)-1-prop-2-enylpurine-2,6-dione IUPAC Name: 7-benzyl-8-bromo-3-methyl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-7-benzyl-8-bromo-3-methyl-xanthine Formula: C16H15BrN4O2 MolecularWeight: 375.2199

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)Br)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C16H15BrN4O2/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/h3-8H,1,9-10H2,2H3