7-ethyl-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-[(4-methylbenzyl)amino]xanthine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1NCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H19N5O2/c1-4-21-12-13(20(3)16(23)19-14(12)22)18-15(21)17-9-11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H,17,18)(H,19,22,23)