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

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)-8-[(phenylmethyl)amino]purin-7-yl]propanenitrile Openeye Name: 3-[8-(benzylamino)-3-methyl-2,6-dioxo-purin-7-yl]propanenitrile CAS Name: 3-[3-methyl-2,6-dioxo-8-[(phenylmethyl)amino]-7-purinyl]propanenitrile IUPAC Name: 3-[8-(benzylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile Traditional Name: 3-[8-(benzylamino)-2,6-diketo-3-methyl-purin-7-yl]propionitrile Formula: C16H16N6O2 MolecularWeight: 324.33724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CCC#N

InChI

InChI=1S/C16H16N6O2/c1-21-13-12(14(23)20-16(21)24)22(9-5-8-17)15(19-13)18-10-11-6-3-2-4-7-11/h2-4,6-7H,5,9-10H2,1H3,(H,18,19)(H,20,23,24)