9-[2-(dipropylamino)-2-oxidanylidene-ethyl]-N,N-dimethyl-8-oxidanylidene-2-phenyl-purine-7-carboxamide

Systemtic Name: 9-[2-(dipropylamino)-2-oxidanylidene-ethyl]-N,N-dimethyl-8-oxidanylidene-2-phenyl-purine-7-carboxamide Openeye Name: 9-[2-(dipropylamino)-2-oxo-ethyl]-N,N-dimethyl-8-oxo-2-phenyl-purine-7-carboxamide CAS Name: 9-[2-(dipropylamino)-2-oxoethyl]-N,N-dimethyl-8-oxo-2-phenyl-7-purinecarboxamide IUPAC Name: 9-[2-(dipropylamino)-2-oxoethyl]-N,N-dimethyl-8-oxo-2-phenylpurine-7-carboxamide Traditional Name: 9-[2-(dipropylamino)-2-keto-ethyl]-8-keto-N,N-dimethyl-2-phenyl-purine-7-carboxamide Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)CN1C2=NC(=NC=C2N(C1=O)C(=O)N(C)C)C3=CC=CC=C3

Isomeric SMILES

CCCN(CCC)C(=O)CN1C2=NC(=NC=C2N(C1=O)C(=O)N(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H28N6O3/c1-5-12-26(13-6-2)18(29)15-27-20-17(28(22(27)31)21(30)25(3)4)14-23-19(24-20)16-10-8-7-9-11-16/h7-11,14H,5-6,12-13,15H2,1-4H3