9-(3,4-dimethylphenyl)-8-oxidanylidene-2-phenethyl-7H-purine-6-carboxamide

Systemtic Name: 9-(3,4-dimethylphenyl)-8-oxidanylidene-2-phenethyl-7H-purine-6-carboxamide Openeye Name: 9-(3,4-dimethylphenyl)-8-oxo-2-phenethyl-7H-purine-6-carboxamide CAS Name: 9-(3,4-dimethylphenyl)-8-oxo-2-phenethyl-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dimethylphenyl)-8-oxo-2-phenethyl-7H-purine-6-carboxamide Traditional Name: 9-(3,4-dimethylphenyl)-8-keto-2-phenethyl-7H-purine-6-carboxamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)CCC4=CC=CC=C4)C

InChI

InChI=1S/C22H21N5O2/c1-13-8-10-16(12-14(13)2)27-21-19(26-22(27)29)18(20(23)28)24-17(25-21)11-9-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H2,23,28)(H,26,29)