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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1-(4-chlorobenzyl)-3-methyl-xanthine Formula: C16H15ClN4O2 MolecularWeight: 330.7689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O2/c1-3-8-20-10-18-14-13(20)15(22)21(16(23)19(14)2)9-11-4-6-12(17)7-5-11/h3-7,10H,1,8-9H2,2H3