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

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-(4-phenylpiperazino)xanthine Formula: C23H24N6O2 MolecularWeight: 416.47566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C23H24N6O2/c1-26-20-19(21(30)25-23(26)31)29(16-17-8-4-2-5-9-17)22(24-20)28-14-12-27(13-15-28)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,25,30,31)