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

Systemtic Name: 8-(dimethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(dimethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(dimethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(dimethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(dimethylamino)-7-[2-(4-methoxyphenyl)ethyl]-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)C)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H21N5O3/c1-20(2)16-18-14-13(15(23)19-17(24)21(14)3)22(16)10-9-11-5-7-12(25-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,19,23,24)