7-(2-methoxyethyl)-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CCOC

InChI

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