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

Systemtic Name: 1,3-dimethyl-7-pentyl-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-pentyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-pentyl-8-[[4-(phenylmethyl)-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[(4-benzylpiperazino)methyl]-1,3-dimethyl-xanthine Formula: C24H34N6O2 MolecularWeight: 438.56576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H34N6O2/c1-4-5-9-12-30-20(25-22-21(30)23(31)27(3)24(32)26(22)2)18-29-15-13-28(14-16-29)17-19-10-7-6-8-11-19/h6-8,10-11H,4-5,9,12-18H2,1-3H3