6-[(4-methoxyphenyl)methylamino]-9-(oxan-2-yl)purine-2-carbonitrile

Systemtic Name: 6-[(4-methoxyphenyl)methylamino]-9-(oxan-2-yl)purine-2-carbonitrile Openeye Name: 6-[(4-methoxyphenyl)methylamino]-9-tetrahydropyran-2-yl-purine-2-carbonitrile CAS Name: 6-[(4-methoxyphenyl)methylamino]-9-(2-oxanyl)-2-purinecarbonitrile IUPAC Name: 6-[(4-methoxyphenyl)methylamino]-9-(oxan-2-yl)purine-2-carbonitrile Traditional Name: 6-(p-anisylamino)-9-tetrahydropyran-2-yl-purine-2-carbonitrile Formula: C19H20N6O2 MolecularWeight: 364.4011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCCO4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCCO4)C#N

InChI

InChI=1S/C19H20N6O2/c1-26-14-7-5-13(6-8-14)11-21-18-17-19(24-15(10-20)23-18)25(12-22-17)16-4-2-3-9-27-16/h5-8,12,16H,2-4,9,11H2,1H3,(H,21,23,24)