2-[3-(naphthalen-1-ylmethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanenitrile

Systemtic Name: 2-[3-(naphthalen-1-ylmethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanenitrile Openeye Name: 2-[3-(1-naphthylmethyl)-2,4-dioxo-pyrimidin-1-yl]acetonitrile CAS Name: 2-[3-(1-naphthalenylmethyl)-2,4-dioxo-1-pyrimidinyl]acetonitrile IUPAC Name: 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetonitrile Traditional Name: 2-[2,4-diketo-3-(1-naphthylmethyl)pyrimidin-1-yl]acetonitrile Formula: C17H13N3O2 MolecularWeight: 291.30402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C=CN(C3=O)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C=CN(C3=O)CC#N

InChI

InChI=1S/C17H13N3O2/c18-9-11-19-10-8-16(21)20(17(19)22)12-14-6-3-5-13-4-1-2-7-15(13)14/h1-8,10H,11-12H2