2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-[(4-ethylphenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-[(4-ethylphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-[(4-ethylphenyl)methyl]-N-methyl-acetamide CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-[(4-ethylphenyl)methyl]-N-methylacetamide IUPAC Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(4-ethylbenzyl)-N-methyl-acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O2S/c1-3-15-8-10-16(11-9-15)12-25(2)19(26)13-28-22-21-20(23-14-24-22)17-6-4-5-7-18(17)27-21/h4-11,14H,3,12-13H2,1-2H3