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

Systemtic Name: N-(3-methylphenyl)-2-[4-oxidanylidene-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(m-tolyl)-2-[4-oxo-3-(2-thienylmethyl)pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(3-methylphenyl)-2-[[4-oxo-3-(thiophen-2-ylmethyl)-2-pteridinyl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(2-thenyl)pteridin-2-yl]thio]-N-(m-tolyl)acetamide Formula: C20H17N5O2S2 MolecularWeight: 423.51128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CS4

InChI

InChI=1S/C20H17N5O2S2/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/h2-10H,11-12H2,1H3,(H,23,26)