8-bromanyl-7-[(4-chlorophenyl)methyl]-3-methyl-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[(4-chlorophenyl)methyl]-3-methyl-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-8-bromo-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[(4-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(4-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-xanthine Formula: C16H14BrClN4O2 MolecularWeight: 409.66496

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrClN4O2/c1-3-8-21-14(23)12-13(20(2)16(21)24)19-15(17)22(12)9-10-4-6-11(18)7-5-10/h3-7H,1,8-9H2,2H3