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

Systemtic Name: lithium 2-[3-[(4-methoxyphenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanenitrile Openeye Name: lithium 2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-pyrimidin-1-yl]acetonitrile CAS Name: lithium 2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1-pyrimidinyl]acetonitrile IUPAC Name: lithium 2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetonitrile Traditional Name: lithium 2-(2,4-diketo-3-p-anisyl-pyrimidin-1-yl)acetonitrile Formula: C14H12LiN3O3 MolecularWeight: 277.20438

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].COC1=CC=C(C=C1)CN2C(=O)C=CN(C2=O)[CH-]C#N

Isomeric SMILES

[Li+].COC1=CC=C(C=C1)CN2C(=O)C=CN(C2=O)[CH-]C#N

InChI

InChI=1S/C14H12N3O3.Li/c1-20-12-4-2-11(3-5-12)10-17-13(18)6-8-16(9-7-15)14(17)19;/h2-6,8-9H,10H2,1H3;/q-1;+1