N-(5-chloranyl-2-methoxy-phenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-(3-isopentyl-4-oxo-pteridin-2-yl)sulfanyl-acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(3-isoamyl-4-keto-pteridin-2-yl)thio]acetamide Formula: C20H22ClN5O3S MolecularWeight: 447.93838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5O3S/c1-12(2)6-9-26-19(28)17-18(23-8-7-22-17)25-20(26)30-11-16(27)24-14-10-13(21)4-5-15(14)29-3/h4-5,7-8,10,12H,6,9,11H2,1-3H3,(H,24,27)