N-(3,5-dimethoxyphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-(3-isopentyl-4-oxo-pteridin-2-yl)sulfanyl-acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[(3-isoamyl-4-keto-pteridin-2-yl)thio]acetamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H25N5O4S/c1-13(2)5-8-26-20(28)18-19(23-7-6-22-18)25-21(26)31-12-17(27)24-14-9-15(29-3)11-16(10-14)30-4/h6-7,9-11,13H,5,8,12H2,1-4H3,(H,24,27)