N-(3,5-dimethoxyphenyl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[3-(2-furylmethyl)-4-oxo-pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[[3-(2-furanylmethyl)-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[[3-(2-furfuryl)-4-keto-pteridin-2-yl]thio]acetamide Formula: C21H19N5O5S MolecularWeight: 453.47106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CO4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CO4)OC

InChI

InChI=1S/C21H19N5O5S/c1-29-15-8-13(9-16(10-15)30-2)24-17(27)12-32-21-25-19-18(22-5-6-23-19)20(28)26(21)11-14-4-3-7-31-14/h3-10H,11-12H2,1-2H3,(H,24,27)