3-[3-[2-(4-chlorophenyl)ethyl]-4-oxidanylidene-pteridin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[3-[2-(4-chlorophenyl)ethyl]-4-oxidanylidene-pteridin-2-yl]benzenecarbonitrile Openeye Name: 3-[3-[2-(4-chlorophenyl)ethyl]-4-oxo-pteridin-2-yl]benzonitrile CAS Name: 3-[3-[2-(4-chlorophenyl)ethyl]-4-oxo-2-pteridinyl]benzonitrile IUPAC Name: 3-[3-[2-(4-chlorophenyl)ethyl]-4-oxopteridin-2-yl]benzonitrile Traditional Name: 3-[3-[2-(4-chlorophenyl)ethyl]-4-keto-pteridin-2-yl]benzonitrile Formula: C21H14ClN5O MolecularWeight: 387.82176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NC3=NC=CN=C3C(=O)N2CCC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NC3=NC=CN=C3C(=O)N2CCC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C21H14ClN5O/c22-17-6-4-14(5-7-17)8-11-27-20(16-3-1-2-15(12-16)13-23)26-19-18(21(27)28)24-9-10-25-19/h1-7,9-10,12H,8,11H2