2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(phenethylamino)purin-7-yl]ethanenitrile

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(phenethylamino)purin-7-yl]ethanenitrile Openeye Name: 2-[1,3-dimethyl-2,6-dioxo-8-(phenethylamino)purin-7-yl]acetonitrile CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(phenethylamino)-7-purinyl]acetonitrile IUPAC Name: 2-[1,3-dimethyl-2,6-dioxo-8-(phenethylamino)purin-7-yl]acetonitrile Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-(phenethylamino)purin-7-yl]acetonitrile Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC#N

InChI

InChI=1S/C17H18N6O2/c1-21-14-13(15(24)22(2)17(21)25)23(11-9-18)16(20-14)19-10-8-12-6-4-3-5-7-12/h3-7H,8,10-11H2,1-2H3,(H,19,20)