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9-bromanyl-7-(3-ethylsulfinylphenyl)-10-propoxy-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one

9-bromanyl-7-(3-ethylsulfinylphenyl)-10-propoxy-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one

Systemtic Name:9-bromanyl-7-(3-ethylsulfinylphenyl)-10-propoxy-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one
Openeye Name:9-bromo-7-(3-ethylsulfinylphenyl)-10-propoxy-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one
CAS Name:9-bromo-7-(3-ethylsulfinylphenyl)-10-propoxy-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one
IUPAC Name:9-bromo-7-(3-ethylsulfinylphenyl)-10-propoxy-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one
Traditional Name:9-bromo-7-(3-ethylsulfinylphenyl)-10-propoxy-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one
Formula: C23H22BrN3O3S
MolecularWeight: 500.40808
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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)N3C=CC(=O)N=C3CN=C2C4=CC(=CC=C4)S(=O)CC)Br


Isomeric SMILES

CCCOC1=C(C=C2C(=C1)N3C=CC(=O)N=C3CN=C2C4=CC(=CC=C4)S(=O)CC)Br


InChI

InChI=1S/C23H22BrN3O3S/c1-3-10-30-20-13-19-17(12-18(20)24)23(15-6-5-7-16(11-15)31(29)4-2)25-14-21-26-22(28)8-9-27(19)21/h5-9,11-13H,3-4,10,14H2,1-2H3


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