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

Systemtic Name: 3-(6-methyl-7-oxidanylidene-2-phenylazanyl-pteridin-8-yl)propanenitrile Openeye Name: 3-(2-anilino-6-methyl-7-oxo-pteridin-8-yl)propanenitrile CAS Name: 3-(2-anilino-6-methyl-7-oxo-8-pteridinyl)propanenitrile IUPAC Name: 3-(2-anilino-6-methyl-7-oxopteridin-8-yl)propanenitrile Traditional Name: 3-(2-anilino-7-keto-6-methyl-pteridin-8-yl)propionitrile Formula: C16H14N6O MolecularWeight: 306.32196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CN=C(N=C2N(C1=O)CCC#N)NC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=CN=C(N=C2N(C1=O)CCC#N)NC3=CC=CC=C3

InChI

InChI=1S/C16H14N6O/c1-11-15(23)22(9-5-8-17)14-13(19-11)10-18-16(21-14)20-12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3,(H,18,20,21)