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

Systemtic Name: N-(4-methylphenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)pteridin-2-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[4-oxo-3-(2-oxolanylmethyl)-2-pteridinyl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)pteridin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(tetrahydrofurfuryl)pteridin-2-yl]thio]-N-(p-tolyl)acetamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4CCCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C20H21N5O3S/c1-13-4-6-14(7-5-13)23-16(26)12-29-20-24-18-17(21-8-9-22-18)19(27)25(20)11-15-3-2-10-28-15/h4-9,15H,2-3,10-12H2,1H3,(H,23,26)