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

Systemtic Name: 3-[(4-bromanylthiophen-2-yl)methylamino]-2-(3,4-dimethoxyphenyl)quinazolin-4-one Openeye Name: 3-[(4-bromo-2-thienyl)methylamino]-2-(3,4-dimethoxyphenyl)quinazolin-4-one CAS Name: 3-[(4-bromo-2-thiophenyl)methylamino]-2-(3,4-dimethoxyphenyl)-4-quinazolinone IUPAC Name: 3-[(4-bromothiophen-2-yl)methylamino]-2-(3,4-dimethoxyphenyl)quinazolin-4-one Traditional Name: 3-[(4-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(=CS4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4=CC(=CS4)Br)OC

InChI

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