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

Systemtic Name: 3-[6-(4-chlorophenyl)-2-(dimethylamino)-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[6-(4-chlorophenyl)-2-(dimethylamino)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[6-(4-chlorophenyl)-2-(dimethylamino)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-(4-chlorophenyl)-2-(dimethylamino)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[6-(4-chlorophenyl)-2-(dimethylamino)-7-keto-pteridin-8-yl]propionitrile Formula: C17H15ClN6O MolecularWeight: 354.7936

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=C(C=C3)Cl)CCC#N

Isomeric SMILES

CN(C)C1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=C(C=C3)Cl)CCC#N

InChI

InChI=1S/C17H15ClN6O/c1-23(2)17-20-10-13-15(22-17)24(9-3-8-19)16(25)14(21-13)11-4-6-12(18)7-5-11/h4-7,10H,3,9H2,1-2H3