3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purine-8-carbonitrile

Systemtic Name: 3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purine-8-carbonitrile Openeye Name: 7-benzyl-3-methyl-2,6-dioxo-purine-8-carbonitrile CAS Name: 3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinecarbonitrile IUPAC Name: 7-benzyl-3-methyl-2,6-dioxopurine-8-carbonitrile Traditional Name: 7-benzyl-2,6-diketo-3-methyl-purine-8-carbonitrile Formula: C14H11N5O2 MolecularWeight: 281.26944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)C#N)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C14H11N5O2/c1-18-12-11(13(20)17-14(18)21)19(10(7-15)16-12)8-9-5-3-2-4-6-9/h2-6H,8H2,1H3,(H,17,20,21)