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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-8-[(4-methylbenzyl)amino]xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CCOC)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CCOC)C(=O)NC(=O)N3C

InChI

InChI=1S/C17H21N5O3/c1-11-4-6-12(7-5-11)10-18-16-19-14-13(22(16)8-9-25-3)15(23)20-17(24)21(14)2/h4-7H,8-10H2,1-3H3,(H,18,19)(H,20,23,24)