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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[3-(2-furylmethyl)-4-oxo-pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[3-(2-furanylmethyl)-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[[3-(2-furfuryl)-4-keto-pteridin-2-yl]thio]acetamide Formula: C20H16ClN5O4S MolecularWeight: 457.89014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN5O4S/c1-29-15-5-4-12(9-14(15)21)24-16(27)11-31-20-25-18-17(22-6-7-23-18)19(28)26(20)10-13-3-2-8-30-13/h2-9H,10-11H2,1H3,(H,24,27)