8-[[bis(phenylmethyl)amino]methyl]-7-decyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-7-decyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-decyl-8-[(dibenzylamino)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-7-decyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-decyl-8-[(dibenzylamino)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-decyl-8-[(dibenzylamino)methyl]-1,3-dimethyl-xanthine Formula: C32H43N5O2 MolecularWeight: 529.71612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C32H43N5O2/c1-4-5-6-7-8-9-10-17-22-37-28(33-30-29(37)31(38)35(3)32(39)34(30)2)25-36(23-26-18-13-11-14-19-26)24-27-20-15-12-16-21-27/h11-16,18-21H,4-10,17,22-25H2,1-3H3