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

Systemtic Name: 1,3-dimethyl-8-[3-(phenylmethoxymethyl)piperazin-1-yl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[3-(benzyloxymethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[3-(phenylmethoxymethyl)-1-piperazinyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[3-(phenylmethoxymethyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 8-[3-(benzoxymethyl)piperazino]-7-benzyl-1,3-dimethyl-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)COCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNC(C3)COCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H30N6O3/c1-29-23-22(24(33)30(2)26(29)34)32(15-19-9-5-3-6-10-19)25(28-23)31-14-13-27-21(16-31)18-35-17-20-11-7-4-8-12-20/h3-12,21,27H,13-18H2,1-2H3