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

Systemtic Name: N-(4-bromophenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-(3-isopentyl-4-oxo-pteridin-2-yl)sulfanyl-acetamide CAS Name: N-(4-bromophenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[(3-isoamyl-4-keto-pteridin-2-yl)thio]acetamide Formula: C19H20BrN5O2S MolecularWeight: 462.3634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN5O2S/c1-12(2)7-10-25-18(27)16-17(22-9-8-21-16)24-19(25)28-11-15(26)23-14-5-3-13(20)4-6-14/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,23,26)