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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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