3-[8-(2-cyanoethyl)-2-methoxy-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-(2-cyanoethyl)-2-methoxy-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-(2-cyanoethyl)-2-methoxy-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[8-(2-cyanoethyl)-2-methoxy-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[8-(2-cyanoethyl)-2-methoxy-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[8-(2-cyanoethyl)-7-keto-2-methoxy-pteridin-6-yl]benzonitrile Formula: C17H12N6O2 MolecularWeight: 332.31618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=CC(=C3)C#N)CCC#N

Isomeric SMILES

COC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=CC(=C3)C#N)CCC#N

InChI

InChI=1S/C17H12N6O2/c1-25-17-20-10-13-15(22-17)23(7-3-6-18)16(24)14(21-13)12-5-2-4-11(8-12)9-19/h2,4-5,8,10H,3,7H2,1H3