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

Systemtic Name: 9-(3,4-dimethylphenyl)-N,N,7-triethyl-8-oxidanylidene-2-phenyl-purine-6-carboxamide Openeye Name: 9-(3,4-dimethylphenyl)-N,N,7-triethyl-8-oxo-2-phenyl-purine-6-carboxamide CAS Name: 9-(3,4-dimethylphenyl)-N,N,7-triethyl-8-oxo-2-phenyl-6-purinecarboxamide IUPAC Name: 9-(3,4-dimethylphenyl)-N,N,7-triethyl-8-oxo-2-phenylpurine-6-carboxamide Traditional Name: 9-(3,4-dimethylphenyl)-N,N,7-triethyl-8-keto-2-phenyl-purine-6-carboxamide Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C(N=C2N(C1=O)C3=CC(=C(C=C3)C)C)C4=CC=CC=C4)C(=O)N(CC)CC

Isomeric SMILES

CCN1C2=C(N=C(N=C2N(C1=O)C3=CC(=C(C=C3)C)C)C4=CC=CC=C4)C(=O)N(CC)CC

InChI

InChI=1S/C26H29N5O2/c1-6-29(7-2)25(32)21-22-24(28-23(27-21)19-12-10-9-11-13-19)31(26(33)30(22)8-3)20-15-14-17(4)18(5)16-20/h9-16H,6-8H2,1-5H3