N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-pteridin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-methoxyphenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: 2-[(3-isoamyl-4-keto-pteridin-2-yl)thio]-N-(2-methoxyphenyl)acetamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C20H23N5O3S/c1-13(2)8-11-25-19(27)17-18(22-10-9-21-17)24-20(25)29-12-16(26)23-14-6-4-5-7-15(14)28-3/h4-7,9-10,13H,8,11-12H2,1-3H3,(H,23,26)