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

Systemtic Name: 3-methyl-8-(4-phenethylpiperazin-1-yl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-8-(4-phenethyl-1-piperazinyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-(4-phenethylpiperazino)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)CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

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