2-[[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[4-[(5-bromo-2-thienyl)methyl]piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazinyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[4-[(5-bromo-2-thienyl)methyl]piperazino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C20H23BrN4O3S MolecularWeight: 479.39062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)CC4=CC=C(S4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)CC4=CC=C(S4)Br)OC

InChI

InChI=1S/C20H23BrN4O3S/c1-27-16-9-14-15(10-17(16)28-2)22-19(23-20(14)26)12-25-7-5-24(6-8-25)11-13-3-4-18(21)29-13/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,22,23,26)