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

Systemtic Name: 8-(2-dimethylaminoethylamino)-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-7-[2-(4-methoxyphenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-7-[2-keto-2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O4/c1-23(2)10-9-20-18-21-16-15(17(27)22-19(28)24(16)3)25(18)11-14(26)12-5-7-13(29-4)8-6-12/h5-8H,9-11H2,1-4H3,(H,20,21)(H,22,27,28)