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

Systemtic Name: 1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-phenyl-1-piperazinyl)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-phenylpiperazino)-7-(3-phenylpropyl)xanthine Formula: C26H30N6O2 MolecularWeight: 458.5554

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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)CCCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C26H30N6O2/c1-28-23-22(24(33)29(2)26(28)34)32(15-9-12-20-10-5-3-6-11-20)25(27-23)31-18-16-30(17-19-31)21-13-7-4-8-14-21/h3-8,10-11,13-14H,9,12,15-19H2,1-2H3