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

Systemtic Name: 6-(2-methylbutylamino)-9-(phenylmethyl)purine-2-carbonitrile Openeye Name: 9-benzyl-6-(2-methylbutylamino)purine-2-carbonitrile CAS Name: 6-(2-methylbutylamino)-9-(phenylmethyl)-2-purinecarbonitrile IUPAC Name: 9-benzyl-6-(2-methylbutylamino)purine-2-carbonitrile Traditional Name: 9-benzyl-6-(2-methylbutylamino)purine-2-carbonitrile Formula: C18H20N6 MolecularWeight: 320.3916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)C#N

Isomeric SMILES

CCC(C)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H20N6/c1-3-13(2)10-20-17-16-18(23-15(9-19)22-17)24(12-21-16)11-14-7-5-4-6-8-14/h4-8,12-13H,3,10-11H2,1-2H3,(H,20,22,23)