9-butyl-8-(4-chlorophenyl)-1-methyl-3H-purine-2,6-dione

Systemtic Name: 9-butyl-8-(4-chlorophenyl)-1-methyl-3H-purine-2,6-dione Openeye Name: 9-butyl-8-(4-chlorophenyl)-1-methyl-3H-purine-2,6-dione CAS Name: 9-butyl-8-(4-chlorophenyl)-1-methyl-3H-purine-2,6-dione IUPAC Name: 9-butyl-8-(4-chlorophenyl)-1-methyl-3H-purine-2,6-dione Traditional Name: 9-butyl-8-(4-chlorophenyl)-1-methyl-xanthine Formula: C16H17ClN4O2 MolecularWeight: 332.78478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H17ClN4O2/c1-3-4-9-21-13(10-5-7-11(17)8-6-10)18-12-14(21)19-16(23)20(2)15(12)22/h5-8H,3-4,9H2,1-2H3,(H,19,23)