7-(2-methoxyphenyl)-3-methyl-1-phenethyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyphenyl)-3-methyl-1-phenethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-methoxyphenyl)-3-methyl-1-phenethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-methoxyphenyl)-3-methyl-1-phenethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyphenyl)-3-methyl-1-phenethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-methoxyphenyl)-3-methyl-1-phenethyl-8-piperazino-xanthine Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C(=N2)N4CCNCC4)C5=CC=CC=C5OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C(=N2)N4CCNCC4)C5=CC=CC=C5OC

InChI

InChI=1S/C25H28N6O3/c1-28-22-21(23(32)30(25(28)33)15-12-18-8-4-3-5-9-18)31(19-10-6-7-11-20(19)34-2)24(27-22)29-16-13-26-14-17-29/h3-11,26H,12-17H2,1-2H3