8-[4-(2-hydroxyphenyl)carbonylpiperazin-1-yl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[4-(2-hydroxyphenyl)carbonylpiperazin-1-yl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[4-(2-hydroxybenzoyl)piperazin-1-yl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[4-[(2-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[4-(2-hydroxybenzoyl)piperazin-1-yl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(4-salicyloylpiperazino)xanthine Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCN(CC3)C(=O)C4=CC=CC=C4O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N3CCN(CC3)C(=O)C4=CC=CC=C4O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H22N6O4/c1-21-14-15(22(2)19(29)23(3)17(14)28)20-18(21)25-10-8-24(9-11-25)16(27)12-6-4-5-7-13(12)26/h4-7,26H,8-11H2,1-3H3