7-(2-ethoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(2-ethoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-8-[4-(4-methoxyphenyl)-1-piperazinyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-8-[4-(4-methoxyphenyl)piperazino]-1,3-dimethyl-xanthine Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCOCCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H30N6O4/c1-5-32-15-14-28-18-19(24(2)22(30)25(3)20(18)29)23-21(28)27-12-10-26(11-13-27)16-6-8-17(31-4)9-7-16/h6-9H,5,10-15H2,1-4H3