6-(2,2-diphenylethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurine-2-carbonitrile

Systemtic Name: 6-(2,2-diphenylethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurine-2-carbonitrile Openeye Name: 6-(2,2-diphenylethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurine-2-carbonitrile CAS Name: 6-(2,2-diphenylethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurine-2-carbonitrile IUPAC Name: 6-(2,2-diphenylethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurine-2-carbonitrile Traditional Name: 6-(2,2-diphenylethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurine-2-carbonitrile Formula: C25H24N6O MolecularWeight: 424.49766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC2=C3C(NC(N2)C#N)N(C=N3)C4C=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CNC2=C3C(NC(N2)C#N)N(C=N3)C4C=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N6O/c26-15-21-29-24(23-25(30-21)31(17-28-23)22-13-7-8-14-32-22)27-16-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17,20-22,25,27,29-30H,16H2