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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-nonyl-purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-nonyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-nonylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-nonylpurine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-nonyl-xanthine Formula: C31H41N5O2 MolecularWeight: 515.68954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C31H41N5O2/c1-4-5-6-7-8-9-16-21-36-27(32-29-28(36)30(37)34(3)31(38)33(29)2)24-35(22-25-17-12-10-13-18-25)23-26-19-14-11-15-20-26/h10-15,17-20H,4-9,16,21-24H2,1-3H3