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

Systemtic Name: N-(4-ethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethylphenyl)-2-[3-(2-furylmethyl)-4-oxo-pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(4-ethylphenyl)-2-[[3-(2-furanylmethyl)-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: N-(4-ethylphenyl)-2-[[3-(2-furfuryl)-4-keto-pteridin-2-yl]thio]acetamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CO4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C21H19N5O3S/c1-2-14-5-7-15(8-6-14)24-17(27)13-30-21-25-19-18(22-9-10-23-19)20(28)26(21)12-16-4-3-11-29-16/h3-11H,2,12-13H2,1H3,(H,24,27)