9-(3,4-dimethylphenyl)-8-oxidanylidene-2-phenyl-N,N,7-tris(phenylmethyl)purine-6-carboxamide

Systemtic Name: 9-(3,4-dimethylphenyl)-8-oxidanylidene-2-phenyl-N,N,7-tris(phenylmethyl)purine-6-carboxamide Openeye Name: N,N,7-tribenzyl-9-(3,4-dimethylphenyl)-8-oxo-2-phenyl-purine-6-carboxamide CAS Name: 9-(3,4-dimethylphenyl)-8-oxo-2-phenyl-N,N,7-tris(phenylmethyl)-6-purinecarboxamide IUPAC Name: N,N,7-tribenzyl-9-(3,4-dimethylphenyl)-8-oxo-2-phenylpurine-6-carboxamide Traditional Name: N,N,7-tribenzyl-9-(3,4-dimethylphenyl)-8-keto-2-phenyl-purine-6-carboxamide Formula: C41H35N5O2 MolecularWeight: 629.7489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3N(C2=O)CC4=CC=CC=C4)C(=O)N(CC5=CC=CC=C5)CC6=CC=CC=C6)C7=CC=CC=C7)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3N(C2=O)CC4=CC=CC=C4)C(=O)N(CC5=CC=CC=C5)CC6=CC=CC=C6)C7=CC=CC=C7)C

InChI

InChI=1S/C41H35N5O2/c1-29-23-24-35(25-30(29)2)46-39-37(45(41(46)48)28-33-19-11-5-12-20-33)36(42-38(43-39)34-21-13-6-14-22-34)40(47)44(26-31-15-7-3-8-16-31)27-32-17-9-4-10-18-32/h3-25H,26-28H2,1-2H3