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

Systemtic Name: 6-(naphthalen-1-ylmethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurine-2-carbonitrile Openeye Name: 6-(1-naphthylmethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurine-2-carbonitrile CAS Name: 6-(1-naphthalenylmethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurine-2-carbonitrile IUPAC Name: 6-(naphthalen-1-ylmethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurine-2-carbonitrile Traditional Name: 6-(1-naphthylmethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurine-2-carbonitrile Formula: C22H20N6O MolecularWeight: 384.4338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CNC3=C4C(NC(N3)C#N)N(C=N4)C5C=CC=CO5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CNC3=C4C(NC(N3)C#N)N(C=N4)C5C=CC=CO5

InChI

InChI=1S/C22H20N6O/c23-12-18-26-21(24-13-16-8-5-7-15-6-1-2-9-17(15)16)20-22(27-18)28(14-25-20)19-10-3-4-11-29-19/h1-11,14,18-19,22,24,26-27H,13H2