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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=C(N=C(N3C4=CC=CC=C4OC)N5CCNCC5)N(C2=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=O)C3=C(N=C(N3C4=CC=CC=C4OC)N5CCNCC5)N(C2=O)C

InChI

InChI=1S/C25H28N6O3/c1-17(18-9-5-4-6-10-18)30-23(32)21-22(28(2)25(30)33)27-24(29-15-13-26-14-16-29)31(21)19-11-7-8-12-20(19)34-3/h4-12,17,26H,13-16H2,1-3H3