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

Systemtic Name: N-(4-bromophenyl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo-pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromophenyl)-2-[[3-(2-furanylmethyl)-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[[3-(2-furfuryl)-4-keto-pteridin-2-yl]thio]acetamide Formula: C19H14BrN5O3S MolecularWeight: 472.31516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1=COC(=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C19H14BrN5O3S/c20-12-3-5-13(6-4-12)23-15(26)11-29-19-24-17-16(21-7-8-22-17)18(27)25(19)10-14-2-1-9-28-14/h1-9H,10-11H2,(H,23,26)