3-[2-[(3-methoxyphenyl)amino]-6-methyl-7-oxidanylidene-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[2-[(3-methoxyphenyl)amino]-6-methyl-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(3-methoxyanilino)-6-methyl-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(3-methoxyanilino)-6-methyl-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(3-methoxyanilino)-6-methyl-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-2-(m-anisidino)-6-methyl-pteridin-8-yl]propionitrile Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O2/c1-11-16(24)23(8-4-7-18)15-14(20-11)10-19-17(22-15)21-12-5-3-6-13(9-12)25-2/h3,5-6,9-10H,4,8H2,1-2H3,(H,19,21,22)