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

Systemtic Name: N-(2-methoxyphenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-methoxyphenyl)-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(2-methoxyphenyl)-2-[[4-oxo-3-(2-oxolanylmethyl)-2-pteridinyl]thio]acetamide IUPAC Name: N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)pteridin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(tetrahydrofurfuryl)pteridin-2-yl]thio]-N-(2-methoxyphenyl)acetamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4CCCO4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C20H21N5O4S/c1-28-15-7-3-2-6-14(15)23-16(26)12-30-20-24-18-17(21-8-9-22-18)19(27)25(20)11-13-5-4-10-29-13/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,23,26)