2-[3-[(3,5-dimethoxyphenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanenitrile

Systemtic Name: 2-[3-[(3,5-dimethoxyphenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanenitrile Openeye Name: 2-[3-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-pyrimidin-1-yl]acetonitrile CAS Name: 2-[3-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1-pyrimidinyl]acetonitrile IUPAC Name: 2-[3-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetonitrile Traditional Name: 2-[3-(3,5-dimethoxybenzyl)-2,4-diketo-pyrimidin-1-yl]acetonitrile Formula: C15H15N3O4 MolecularWeight: 301.2973

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C(=O)C=CN(C2=O)CC#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C(=O)C=CN(C2=O)CC#N)OC

InChI

InChI=1S/C15H15N3O4/c1-21-12-7-11(8-13(9-12)22-2)10-18-14(19)3-5-17(6-4-16)15(18)20/h3,5,7-9H,6,10H2,1-2H3