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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3S/c1-13-4-2-5-14(10-13)23-16(26)12-29-20-24-18-17(21-7-8-22-18)19(27)25(20)11-15-6-3-9-28-15/h2,4-5,7-8,10,15H,3,6,9,11-12H2,1H3,(H,23,26)