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

Systemtic Name: 1,3-dimethyl-8-(3-phenethylpiperazin-1-yl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(3-phenethylpiperazin-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-phenethyl-1-piperazinyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(3-phenethylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(3-phenethylpiperazino)xanthine Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNC(C3)CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNC(C3)CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H30N6O2/c1-29-23-22(24(33)30(2)26(29)34)32(17-20-11-7-4-8-12-20)25(28-23)31-16-15-27-21(18-31)14-13-19-9-5-3-6-10-19/h3-12,21,27H,13-18H2,1-2H3