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

Systemtic Name: 8-(2-diethylaminoethylamino)-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-7-[2-(4-methoxyphenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-7-[2-keto-2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1CC(=O)C3=CC=C(C=C3)OC)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1CC(=O)C3=CC=C(C=C3)OC)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H28N6O4/c1-5-26(6-2)12-11-22-20-23-18-17(19(29)24-21(30)25(18)3)27(20)13-16(28)14-7-9-15(31-4)10-8-14/h7-10H,5-6,11-13H2,1-4H3,(H,22,23)(H,24,29,30)