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

Systemtic Name: 3-[6-(4-chlorophenyl)-7-oxidanylidene-2-phenylazanyl-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-anilino-6-(4-chlorophenyl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[2-anilino-6-(4-chlorophenyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-anilino-6-(4-chlorophenyl)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[2-anilino-6-(4-chlorophenyl)-7-keto-pteridin-8-yl]propionitrile Formula: C21H15ClN6O MolecularWeight: 402.8364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=C(C=C4)Cl)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=C(C=C4)Cl)CCC#N

InChI

InChI=1S/C21H15ClN6O/c22-15-9-7-14(8-10-15)18-20(29)28(12-4-11-23)19-17(26-18)13-24-21(27-19)25-16-5-2-1-3-6-16/h1-3,5-10,13H,4,12H2,(H,24,25,27)