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

Systemtic Name: 3-methyl-8-(4-phenylpiperazin-1-yl)-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 3-methyl-8-(4-phenylpiperazin-1-yl)-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-(4-phenyl-1-piperazinyl)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(4-phenylpiperazin-1-yl)-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 3-methyl-8-(4-phenylpiperazino)-7-(3-phenylpropyl)xanthine Formula: C25H28N6O2 MolecularWeight: 444.52882

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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)CCCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C25H28N6O2/c1-28-22-21(23(32)27-25(28)33)31(14-8-11-19-9-4-2-5-10-19)24(26-22)30-17-15-29(16-18-30)20-12-6-3-7-13-20/h2-7,9-10,12-13H,8,11,14-18H2,1H3,(H,27,32,33)