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

Systemtic Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[4-(2-hydroxyethyl)-1-piperazinyl]-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-[4-(2-hydroxyethyl)piperazino]-3,7-dimethyl-xanthine Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCN(CC3)CCO)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1N3CCN(CC3)CCO)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C20H26N6O3/c1-22-16-17(21-19(22)25-10-8-24(9-11-25)12-13-27)23(2)20(29)26(18(16)28)14-15-6-4-3-5-7-15/h3-7,27H,8-14H2,1-2H3