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

Systemtic Name: 2-[3-[(3-methylphenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanenitrile Openeye Name: 2-[3-(m-tolylmethyl)-2,4-dioxo-pyrimidin-1-yl]acetonitrile CAS Name: 2-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1-pyrimidinyl]acetonitrile IUPAC Name: 2-[3-[(3-methylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetonitrile Traditional Name: 2-[2,4-diketo-3-(3-methylbenzyl)pyrimidin-1-yl]acetonitrile Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=O)C=CN(C2=O)CC#N

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=O)C=CN(C2=O)CC#N

InChI

InChI=1S/C14H13N3O2/c1-11-3-2-4-12(9-11)10-17-13(18)5-7-16(8-6-15)14(17)19/h2-5,7,9H,8,10H2,1H3