3-[2-[(3-methoxyphenyl)amino]-7-oxidanylidene-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[2-[(3-methoxyphenyl)amino]-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(3-methoxyanilino)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(3-methoxyanilino)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(3-methoxyanilino)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-2-(m-anisidino)pteridin-8-yl]propionitrile Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=O)C=N3)CCC#N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=O)C=N3)CCC#N

InChI

InChI=1S/C16H14N6O2/c1-24-12-5-2-4-11(8-12)20-16-19-9-13-15(21-16)22(7-3-6-17)14(23)10-18-13/h2,4-5,8-10H,3,7H2,1H3,(H,19,20,21)