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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C30H38N6O2/c1-4-17-36-28-27(29(37)33(3)30(36)38)32(2)25(31-28)16-11-18-34-19-21-35(22-20-34)26(23-12-7-5-8-13-23)24-14-9-6-10-15-24/h5-10,12-15,26H,4,11,16-22H2,1-3H3