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

Systemtic Name: 1,3,7-trimethyl-8-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 8-[3-(4-benzylpiperazin-1-yl)propyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]purine-2,6-dione IUPAC Name: 8-[3-(4-benzylpiperazin-1-yl)propyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[3-(4-benzylpiperazino)propyl]-1,3,7-trimethyl-xanthine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N6O2/c1-24-18(23-20-19(24)21(29)26(3)22(30)25(20)2)10-7-11-27-12-14-28(15-13-27)16-17-8-5-4-6-9-17/h4-6,8-9H,7,10-16H2,1-3H3