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

Systemtic Name: 8-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-dimethyl-7-pentyl-purine-2,6-dione CAS Name: 8-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[(4-benzhydrylpiperazino)methyl]-1,3-dimethyl-xanthine Formula: C30H38N6O2 MolecularWeight: 514.66172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H38N6O2/c1-4-5-12-17-36-25(31-28-27(36)29(37)33(3)30(38)32(28)2)22-34-18-20-35(21-19-34)26(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16,26H,4-5,12,17-22H2,1-3H3