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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-3-isobutyl-1-methyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-3-isobutyl-1-methyl-xanthine Formula: C17H19ClN4O2 MolecularWeight: 346.81136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O2/c1-11(2)8-22-15-14(16(23)20(3)17(22)24)21(10-19-15)9-12-4-6-13(18)7-5-12/h4-7,10-11H,8-9H2,1-3H3