8-[3-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[3-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[3-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[3-[(4-methoxyphenyl)methyl]-1-piperazinyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[3-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(3-p-anisylpiperazino)xanthine Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNC(C3)CC4=CC=C(C=C4)OC)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNC(C3)CC4=CC=C(C=C4)OC)CC5=CC=CC=C5

InChI

InChI=1S/C26H30N6O3/c1-29-23-22(24(33)30(2)26(29)34)32(16-19-7-5-4-6-8-19)25(28-23)31-14-13-27-20(17-31)15-18-9-11-21(35-3)12-10-18/h4-12,20,27H,13-17H2,1-3H3