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

Systemtic Name: 1,3-dimethyl-7-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 7-[3-(4-benzylpiperazin-1-yl)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]purine-2,6-dione IUPAC Name: 7-[3-(4-benzylpiperazin-1-yl)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(4-benzylpiperazino)propyl]-1,3-dimethyl-xanthine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H28N6O2/c1-23-19-18(20(28)24(2)21(23)29)27(16-22-19)10-6-9-25-11-13-26(14-12-25)15-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3