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

Systemtic Name: 8-(diethylamino)-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(diethylamino)-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(diethylamino)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(diethylamino)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(diethylamino)-7-[2-keto-2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC(=O)C3=CC(=CC=C3)OC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1CC(=O)C3=CC(=CC=C3)OC)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H25N5O4/c1-6-24(7-2)19-21-17-16(18(27)23(4)20(28)22(17)3)25(19)12-15(26)13-9-8-10-14(11-13)29-5/h8-11H,6-7,12H2,1-5H3