2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanylethanamide

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanylethanamide Openeye Name: 2-(3-isopentyl-4-oxo-pteridin-2-yl)sulfanylacetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: 2-[(3-isoamyl-4-keto-pteridin-2-yl)thio]acetamide Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)N

Isomeric SMILES

CC(C)CCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)N

InChI

InChI=1S/C13H17N5O2S/c1-8(2)3-6-18-12(20)10-11(16-5-4-15-10)17-13(18)21-7-9(14)19/h4-5,8H,3,6-7H2,1-2H3,(H2,14,19)