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

Systemtic Name: 7-(2-ethoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-8-[4-(4-methoxyphenyl)piperazino]-3-methyl-xanthine Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCOCCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H28N6O4/c1-4-31-14-13-27-17-18(24(2)21(29)23-19(17)28)22-20(27)26-11-9-25(10-12-26)15-5-7-16(30-3)8-6-15/h5-8H,4,9-14H2,1-3H3,(H,23,28,29)