N-(2-ethoxyphenyl)-2-[4-oxidanylidene-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-ethoxyphenyl)-2-[4-oxidanylidene-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-ethoxyphenyl)-2-[4-oxo-3-(2-thienylmethyl)pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(2-ethoxyphenyl)-2-[[4-oxo-3-(thiophen-2-ylmethyl)-2-pteridinyl]thio]acetamide IUPAC Name: N-(2-ethoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(2-thenyl)pteridin-2-yl]thio]-N-o-phenetyl-acetamide Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CS4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CS4

InChI

InChI=1S/C21H19N5O3S2/c1-2-29-16-8-4-3-7-15(16)24-17(27)13-31-21-25-19-18(22-9-10-23-19)20(28)26(21)12-14-6-5-11-30-14/h3-11H,2,12-13H2,1H3,(H,24,27)