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

Systemtic Name: 7-butyl-1,3-dimethyl-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-butyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[[4-(phenylmethyl)-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-butyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-benzylpiperazino)methyl]-7-butyl-1,3-dimethyl-xanthine Formula: C23H32N6O2 MolecularWeight: 424.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H32N6O2/c1-4-5-11-29-19(24-21-20(29)22(30)26(3)23(31)25(21)2)17-28-14-12-27(13-15-28)16-18-9-7-6-8-10-18/h6-10H,4-5,11-17H2,1-3H3