N-(2,5-dimethylphenyl)-2-[4-oxidanylidene-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[4-oxidanylidene-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[4-oxo-3-(2-thienylmethyl)pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[4-oxo-3-(thiophen-2-ylmethyl)-2-pteridinyl]thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[[4-keto-3-(2-thenyl)pteridin-2-yl]thio]acetamide Formula: C21H19N5O2S2 MolecularWeight: 437.53786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2S2/c1-13-5-6-14(2)16(10-13)24-17(27)12-30-21-25-19-18(22-7-8-23-19)20(28)26(21)11-15-4-3-9-29-15/h3-10H,11-12H2,1-2H3,(H,24,27)