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

Systemtic Name: 1,3-dimethyl-7-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]purine-2,6-dione Openeye Name: 7-[4-(4-benzylpiperazin-1-yl)-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butyl]purine-2,6-dione IUPAC Name: 7-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-(4-benzylpiperazino)-4-keto-butyl]-1,3-dimethyl-xanthine Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N6O3/c1-24-20-19(21(30)25(2)22(24)31)28(16-23-20)10-6-9-18(29)27-13-11-26(12-14-27)15-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3