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

Systemtic Name: N-(4-methoxyphenyl)-2-[4-oxidanylidene-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[4-oxo-3-(2-thienylmethyl)pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(4-methoxyphenyl)-2-[[4-oxo-3-(thiophen-2-ylmethyl)-2-pteridinyl]thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(2-thenyl)pteridin-2-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C20H17N5O3S2 MolecularWeight: 439.51068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CS4

InChI

InChI=1S/C20H17N5O3S2/c1-28-14-6-4-13(5-7-14)23-16(26)12-30-20-24-18-17(21-8-9-22-18)19(27)25(20)11-15-3-2-10-29-15/h2-10H,11-12H2,1H3,(H,23,26)