3-(7-oxidanylidene-6-phenyl-2-phenylazanyl-pteridin-8-yl)propanenitrile

Systemtic Name: 3-(7-oxidanylidene-6-phenyl-2-phenylazanyl-pteridin-8-yl)propanenitrile Openeye Name: 3-(2-anilino-7-oxo-6-phenyl-pteridin-8-yl)propanenitrile CAS Name: 3-(2-anilino-7-oxo-6-phenyl-8-pteridinyl)propanenitrile IUPAC Name: 3-(2-anilino-7-oxo-6-phenylpteridin-8-yl)propanenitrile Traditional Name: 3-(2-anilino-7-keto-6-phenyl-pteridin-8-yl)propionitrile Formula: C21H16N6O MolecularWeight: 368.39134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CCC#N)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CCC#N)NC4=CC=CC=C4

InChI

InChI=1S/C21H16N6O/c22-12-7-13-27-19-17(25-18(20(27)28)15-8-3-1-4-9-15)14-23-21(26-19)24-16-10-5-2-6-11-16/h1-6,8-11,14H,7,13H2,(H,23,24,26)