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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

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