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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-3-methyl-7-(3-phenylpropyl)xanthine Formula: C30H31N5O2 MolecularWeight: 493.59944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C30H31N5O2/c1-33-28-27(29(36)32-30(33)37)35(19-11-18-23-12-5-2-6-13-23)26(31-28)22-34(20-24-14-7-3-8-15-24)21-25-16-9-4-10-17-25/h2-10,12-17H,11,18-22H2,1H3,(H,32,36,37)