2-[(7-bromanyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[(7-bromanyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]-N,N-diethyl-ethanamide Openeye Name: 2-[(7-bromo-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[(7-bromo-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]-N,N-diethylacetamide IUPAC Name: 2-[(7-bromo-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]-N,N-diethylacetamide Traditional Name: 2-[(7-bromo-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio]-N,N-diethyl-acetamide Formula: C23H22BrN3O2S MolecularWeight: 484.40868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC(=NC2=C1CC3=C(O2)C=CC(=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC(=NC2=C1CC3=C(O2)C=CC(=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H22BrN3O2S/c1-3-27(4-2)20(28)14-30-23-18-13-16-12-17(24)10-11-19(16)29-22(18)25-21(26-23)15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3