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

Systemtic Name: 2-[4-oxidanylidene-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-oxo-3-(2-thienylmethyl)pteridin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-oxo-3-(thiophen-2-ylmethyl)-2-pteridinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-keto-3-(2-thenyl)pteridin-2-yl]thio]-N-phenethyl-acetamide Formula: C21H19N5O2S2 MolecularWeight: 437.53786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2S2/c27-17(22-9-8-15-5-2-1-3-6-15)14-30-21-25-19-18(23-10-11-24-19)20(28)26(21)13-16-7-4-12-29-16/h1-7,10-12H,8-9,13-14H2,(H,22,27)