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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-(3-isopentyl-4-oxo-pteridin-2-yl)sulfanyl-acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(3-isoamyl-4-keto-pteridin-2-yl)thio]acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC(C)C)C

InChI

InChI=1S/C21H25N5O2S/c1-13(2)5-8-26-20(28)18-19(23-7-6-22-18)25-21(26)29-12-17(27)24-16-10-14(3)9-15(4)11-16/h6-7,9-11,13H,5,8,12H2,1-4H3,(H,24,27)