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

Systemtic Name: 3-[5-[(3-ethoxyphenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanenitrile Openeye Name: 3-[5-[(3-ethoxyphenyl)methyl]-2,4-dioxo-pyrimidin-1-yl]propanenitrile CAS Name: 3-[5-[(3-ethoxyphenyl)methyl]-2,4-dioxo-1-pyrimidinyl]propanenitrile IUPAC Name: 3-[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile Traditional Name: 3-[5-(3-ethoxybenzyl)-2,4-diketo-pyrimidin-1-yl]propionitrile Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CC2=CN(C(=O)NC2=O)CCC#N

Isomeric SMILES

CCOC1=CC=CC(=C1)CC2=CN(C(=O)NC2=O)CCC#N

InChI

InChI=1S/C16H17N3O3/c1-2-22-14-6-3-5-12(10-14)9-13-11-19(8-4-7-17)16(21)18-15(13)20/h3,5-6,10-11H,2,4,8-9H2,1H3,(H,18,20,21)