1-[(4-chlorophenyl)methyl]-8-methoxy-7-methyl-3-propyl-purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-8-methoxy-7-methyl-3-propyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-8-methoxy-7-methyl-3-propyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-8-methoxy-7-methyl-3-propylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-8-methoxy-7-methyl-3-propylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-8-methoxy-7-methyl-3-propyl-xanthine Formula: C17H19ClN4O3 MolecularWeight: 362.81076

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)OC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)OC)C

InChI

InChI=1S/C17H19ClN4O3/c1-4-9-21-14-13(20(2)16(19-14)25-3)15(23)22(17(21)24)10-11-5-7-12(18)8-6-11/h5-8H,4,9-10H2,1-3H3