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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[4-oxo-3-(2-oxolanylmethyl)-2-pteridinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)pteridin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[[4-keto-3-(tetrahydrofurfuryl)pteridin-2-yl]thio]acetamide Formula: C20H20ClN5O4S MolecularWeight: 461.9219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4CCCO4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4CCCO4)Cl

InChI

InChI=1S/C20H20ClN5O4S/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/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,24,27)