7-[(2-chlorophenyl)methyl]-8-(ethylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-(ethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(ethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(ethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(ethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(ethylamino)-3-methyl-xanthine Formula: C15H16ClN5O2 MolecularWeight: 333.77284

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCNC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H16ClN5O2/c1-3-17-14-18-12-11(13(22)19-15(23)20(12)2)21(14)8-9-6-4-5-7-10(9)16/h4-7H,3,8H2,1-2H3,(H,17,18)(H,19,22,23)