2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)purin-7-yl]ethanenitrile

Systemtic Name: 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)purin-7-yl]ethanenitrile Openeye Name: 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile CAS Name: 2-[8-bromo-3-methyl-2,6-dioxo-1-(phenylmethyl)-7-purinyl]acetonitrile IUPAC Name: 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetonitrile Traditional Name: 2-(1-benzyl-8-bromo-2,6-diketo-3-methyl-purin-7-yl)acetonitrile Formula: C15H12BrN5O2 MolecularWeight: 374.19208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)Br)CC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)Br)CC#N

InChI

InChI=1S/C15H12BrN5O2/c1-19-12-11(20(8-7-17)14(16)18-12)13(22)21(15(19)23)9-10-5-3-2-4-6-10/h2-6H,8-9H2,1H3