N-[4-[2-methoxy-4-(2-oxidanylidenepropyl)phenoxy]pyrimidin-5-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[4-[2-methoxy-4-(2-oxidanylidenepropyl)phenoxy]pyrimidin-5-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[4-(4-acetonyl-2-methoxy-phenoxy)pyrimidin-5-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[4-[2-methoxy-4-(2-oxopropyl)phenoxy]-5-pyrimidinyl]-2-(phenylthio)acetamide IUPAC Name: N-[4-[2-methoxy-4-(2-oxopropyl)phenoxy]pyrimidin-5-yl]-2-phenylsulfanylacetamide Traditional Name: N-[4-(4-acetonyl-2-methoxy-phenoxy)pyrimidin-5-yl]-2-(phenylthio)acetamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC(=C(C=C1)OC2=NC=NC=C2NC(=O)CSC3=CC=CC=C3)OC

Isomeric SMILES

CC(=O)CC1=CC(=C(C=C1)OC2=NC=NC=C2NC(=O)CSC3=CC=CC=C3)OC

InChI

InChI=1S/C22H21N3O4S/c1-15(26)10-16-8-9-19(20(11-16)28-2)29-22-18(12-23-14-24-22)25-21(27)13-30-17-6-4-3-5-7-17/h3-9,11-12,14H,10,13H2,1-2H3,(H,25,27)