6-(phenethylamino)-9-(pyridin-3-ylmethyl)purine-2-carbonitrile

Systemtic Name: 6-(phenethylamino)-9-(pyridin-3-ylmethyl)purine-2-carbonitrile Openeye Name: 6-(phenethylamino)-9-(3-pyridylmethyl)purine-2-carbonitrile CAS Name: 6-(phenethylamino)-9-(3-pyridinylmethyl)-2-purinecarbonitrile IUPAC Name: 6-(phenethylamino)-9-(pyridin-3-ylmethyl)purine-2-carbonitrile Traditional Name: 6-(phenethylamino)-9-(3-pyridylmethyl)purine-2-carbonitrile Formula: C20H17N7 MolecularWeight: 355.39588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3CC4=CN=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3CC4=CN=CC=C4)C#N

InChI

InChI=1S/C20H17N7/c21-11-17-25-19(23-10-8-15-5-2-1-3-6-15)18-20(26-17)27(14-24-18)13-16-7-4-9-22-12-16/h1-7,9,12,14H,8,10,13H2,(H,23,25,26)