7-(2-chlorophenyl)-3-(2-ethoxyethyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-(2-chlorophenyl)-3-(2-ethoxyethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-(2-ethoxyethyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-(2-ethoxyethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-(2-ethoxyethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-(2-ethoxyethyl)-8-piperazino-xanthine Formula: C19H23ClN6O3 MolecularWeight: 418.87732

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

Isomeric SMILES

CCOCCN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H23ClN6O3/c1-2-29-12-11-25-16-15(17(27)23-19(25)28)26(14-6-4-3-5-13(14)20)18(22-16)24-9-7-21-8-10-24/h3-6,21H,2,7-12H2,1H3,(H,23,27,28)