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

Systemtic Name: 3-[2-[(3-methoxyphenyl)amino]-7-oxidanylidene-6-thiophen-2-yl-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(3-methoxyanilino)-7-oxo-6-(2-thienyl)pteridin-8-yl]propanenitrile CAS Name: 3-[2-(3-methoxyanilino)-7-oxo-6-thiophen-2-yl-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(3-methoxyanilino)-7-oxo-6-thiophen-2-ylpteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-2-(m-anisidino)-6-(2-thienyl)pteridin-8-yl]propionitrile Formula: C20H16N6O2S MolecularWeight: 404.44504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC#N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC#N

InChI

InChI=1S/C20H16N6O2S/c1-28-14-6-2-5-13(11-14)23-20-22-12-15-18(25-20)26(9-4-8-21)19(27)17(24-15)16-7-3-10-29-16/h2-3,5-7,10-12H,4,9H2,1H3,(H,22,23,25)