3-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-[(phenylmethyl)amino]purin-7-yl]propanenitrile

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-[(phenylmethyl)amino]purin-7-yl]propanenitrile Openeye Name: 3-[8-(benzylamino)-1,3-dimethyl-2,6-dioxo-purin-7-yl]propanenitrile CAS Name: 3-[1,3-dimethyl-2,6-dioxo-8-[(phenylmethyl)amino]-7-purinyl]propanenitrile IUPAC Name: 3-[8-(benzylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]propanenitrile Traditional Name: 3-[8-(benzylamino)-2,6-diketo-1,3-dimethyl-purin-7-yl]propionitrile 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)NCC3=CC=CC=C3)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CCC#N

InChI

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