2-[4-[3-[2-(2-azanyl-1-methyl-6-oxidanylidene-pyrimidin-4-yl)ethyl]phenyl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-[2-(2-azanyl-1-methyl-6-oxidanylidene-pyrimidin-4-yl)ethyl]phenyl]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[2-(2-amino-1-methyl-6-oxo-pyrimidin-4-yl)ethyl]phenyl]phenyl]acetonitrile CAS Name: 2-[4-[3-[2-(2-amino-1-methyl-6-oxo-4-pyrimidinyl)ethyl]phenyl]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[2-(2-amino-1-methyl-6-oxopyrimidin-4-yl)ethyl]phenyl]phenyl]acetonitrile Traditional Name: 2-[4-[3-[2-(2-amino-6-keto-1-methyl-pyrimidin-4-yl)ethyl]phenyl]phenyl]acetonitrile Formula: C21H20N4O MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N)CCC2=CC=CC(=C2)C3=CC=C(C=C3)CC#N

Isomeric SMILES

CN1C(=O)C=C(N=C1N)CCC2=CC=CC(=C2)C3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H20N4O/c1-25-20(26)14-19(24-21(25)23)10-7-16-3-2-4-18(13-16)17-8-5-15(6-9-17)11-12-22/h2-6,8-9,13-14H,7,10-11H2,1H3,(H2,23,24)