7-(2-bromophenyl)-1-ethyl-8-ethylsulfanyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one

Systemtic Name: 7-(2-bromophenyl)-1-ethyl-8-ethylsulfanyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Openeye Name: 7-(2-bromophenyl)-1-ethyl-8-ethylsulfanyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one CAS Name: 7-(2-bromophenyl)-1-ethyl-8-(ethylthio)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one IUPAC Name: 7-(2-bromophenyl)-1-ethyl-8-ethylsulfanyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Traditional Name: 7-(2-bromophenyl)-1-ethyl-8-(ethylthio)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Formula: C22H20BrN3OS MolecularWeight: 454.3827

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C2N1C3=C(C(=CC=C3)SCC)C(=NC2)C4=CC=CC=C4Br

Isomeric SMILES

CCC1=CC(=O)N=C2N1C3=C(C(=CC=C3)SCC)C(=NC2)C4=CC=CC=C4Br

InChI

InChI=1S/C22H20BrN3OS/c1-3-14-12-20(27)25-19-13-24-22(15-8-5-6-9-16(15)23)21-17(26(14)19)10-7-11-18(21)28-4-2/h5-12H,3-4,13H2,1-2H3