3-[(5-bromanylthiophen-2-yl)methylamino]-2-(3,4-dimethoxyphenyl)quinazolin-4-one

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)methylamino]-2-(3,4-dimethoxyphenyl)quinazolin-4-one Openeye Name: 3-[(5-bromo-2-thienyl)methylamino]-2-(3,4-dimethoxyphenyl)quinazolin-4-one CAS Name: 3-[(5-bromo-2-thiophenyl)methylamino]-2-(3,4-dimethoxyphenyl)-4-quinazolinone IUPAC Name: 3-[(5-bromothiophen-2-yl)methylamino]-2-(3,4-dimethoxyphenyl)quinazolin-4-one Traditional Name: 3-[(5-bromo-2-thienyl)methylamino]-2-(3,4-dimethoxyphenyl)quinazolin-4-one Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4=CC=C(S4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4=CC=C(S4)Br)OC

InChI

InChI=1S/C21H18BrN3O3S/c1-27-17-9-7-13(11-18(17)28-2)20-24-16-6-4-3-5-15(16)21(26)25(20)23-12-14-8-10-19(22)29-14/h3-11,23H,12H2,1-2H3