1,3,7-trimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(4-phenylpiperazino)xanthine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O2/c1-20-14-15(21(2)18(26)22(3)16(14)25)19-17(20)24-11-9-23(10-12-24)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3