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

Systemtic Name: 2-[3-[(2,4-dimethylphenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanenitrile Openeye Name: 2-[3-[(2,4-dimethylphenyl)methyl]-2,4-dioxo-pyrimidin-1-yl]acetonitrile CAS Name: 2-[3-[(2,4-dimethylphenyl)methyl]-2,4-dioxo-1-pyrimidinyl]acetonitrile IUPAC Name: 2-[3-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetonitrile Traditional Name: 2-[3-(2,4-dimethylbenzyl)-2,4-diketo-pyrimidin-1-yl]acetonitrile Formula: C15H15N3O2 MolecularWeight: 269.2985

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)C

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O2/c1-11-3-4-13(12(2)9-11)10-18-14(19)5-7-17(8-6-16)15(18)20/h3-5,7,9H,8,10H2,1-2H3