N-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[4-[2-cyanoethyl(2-furylmethyl)amino]pyrimidin-5-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[4-[2-cyanoethyl(2-furanylmethyl)amino]-5-pyrimidinyl]-2-(phenylthio)acetamide IUPAC Name: N-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]-2-phenylsulfanylacetamide Traditional Name: N-[4-[2-cyanoethyl(2-furfuryl)amino]pyrimidin-5-yl]-2-(phenylthio)acetamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NC2=CN=CN=C2N(CCC#N)CC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NC2=CN=CN=C2N(CCC#N)CC3=CC=CO3

InChI

InChI=1S/C20H19N5O2S/c21-9-5-10-25(13-16-6-4-11-27-16)20-18(12-22-15-23-20)24-19(26)14-28-17-7-2-1-3-8-17/h1-4,6-8,11-12,15H,5,10,13-14H2,(H,24,26)