8-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenyl-methyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenyl-methyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenyl-methyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazinyl]-phenylmethyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[[4-(2-hydroxyethyl)piperazino]-phenyl-methyl]-1,3,7-trimethyl-xanthine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C(C3=CC=CC=C3)N4CCN(CC4)CCO)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1C(C3=CC=CC=C3)N4CCN(CC4)CCO)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H28N6O3/c1-23-17-19(24(2)21(30)25(3)20(17)29)22-18(23)16(15-7-5-4-6-8-15)27-11-9-26(10-12-27)13-14-28/h4-8,16,28H,9-14H2,1-3H3