3-[6-(4-chlorophenyl)-2-methoxy-7-oxidanylidene-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[6-(4-chlorophenyl)-2-methoxy-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[6-(4-chlorophenyl)-2-methoxy-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[6-(4-chlorophenyl)-2-methoxy-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-(4-chlorophenyl)-2-methoxy-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[6-(4-chlorophenyl)-7-keto-2-methoxy-pteridin-8-yl]propionitrile Formula: C16H12ClN5O2 MolecularWeight: 341.75178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=C(C=C3)Cl)CCC#N

Isomeric SMILES

COC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=C(C=C3)Cl)CCC#N

InChI

InChI=1S/C16H12ClN5O2/c1-24-16-19-9-12-14(21-16)22(8-2-7-18)15(23)13(20-12)10-3-5-11(17)6-4-10/h3-6,9H,2,8H2,1H3