lithium 2-[2,4-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-1-yl]ethanenitrile

Systemtic Name: lithium 2-[2,4-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-1-yl]ethanenitrile Openeye Name: lithium 2-(3-benzyl-2,4-dioxo-pyrimidin-1-yl)acetonitrile CAS Name: lithium 2-[2,4-dioxo-3-(phenylmethyl)-1-pyrimidinyl]acetonitrile IUPAC Name: lithium 2-(3-benzyl-2,4-dioxopyrimidin-1-yl)acetonitrile Traditional Name: lithium 2-(3-benzyl-2,4-diketo-pyrimidin-1-yl)acetonitrile Formula: C13H10LiN3O2 MolecularWeight: 247.1784

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].C1=CC=C(C=C1)CN2C(=O)C=CN(C2=O)[CH-]C#N

Isomeric SMILES

[Li+].C1=CC=C(C=C1)CN2C(=O)C=CN(C2=O)[CH-]C#N

InChI

InChI=1S/C13H10N3O2.Li/c14-7-9-15-8-6-12(17)16(13(15)18)10-11-4-2-1-3-5-11;/h1-6,8-9H,10H2;/q-1;+1