8-(dimethylamino)-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(dimethylamino)-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(dimethylamino)-7-[2-(4-methoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(dimethylamino)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(dimethylamino)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(dimethylamino)-7-[2-keto-2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C)CC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C)CC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H21N5O4/c1-20(2)17-19-15-14(16(25)22(4)18(26)21(15)3)23(17)10-13(24)11-6-8-12(27-5)9-7-11/h6-9H,10H2,1-5H3