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

Systemtic Name: 3,7-dimethyl-1-(phenylmethyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 1-benzyl-3,7-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(phenylmethyl)-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 1-benzyl-3,7-dimethyl-8-(4-phenylpiperazino)xanthine Formula: C24H26N6O2 MolecularWeight: 430.50224

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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)CC5=CC=CC=C5)C

Isomeric SMILES

CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)CC5=CC=CC=C5)C

InChI

InChI=1S/C24H26N6O2/c1-26-20-21(27(2)24(32)30(22(20)31)17-18-9-5-3-6-10-18)25-23(26)29-15-13-28(14-16-29)19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3