6-(cyclohexylamino)-9-(phenylmethyl)purine-2-carbonitrile

Systemtic Name: 6-(cyclohexylamino)-9-(phenylmethyl)purine-2-carbonitrile Openeye Name: 9-benzyl-6-(cyclohexylamino)purine-2-carbonitrile CAS Name: 6-(cyclohexylamino)-9-(phenylmethyl)-2-purinecarbonitrile IUPAC Name: 9-benzyl-6-(cyclohexylamino)purine-2-carbonitrile Traditional Name: 9-benzyl-6-(cyclohexylamino)purine-2-carbonitrile Formula: C19H20N6 MolecularWeight: 332.4023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)C#N

InChI

InChI=1S/C19H20N6/c20-11-16-23-18(22-15-9-5-2-6-10-15)17-19(24-16)25(13-21-17)12-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-10,12H2,(H,22,23,24)