1-(4-bromophenyl)-3-[4-[(3,4-dimethoxyphenyl)amino]quinazolin-6-yl]thiourea

Systemtic Name: 1-(4-bromophenyl)-3-[4-[(3,4-dimethoxyphenyl)amino]quinazolin-6-yl]thiourea Openeye Name: 1-(4-bromophenyl)-3-[4-(3,4-dimethoxyanilino)quinazolin-6-yl]thiourea CAS Name: 1-(4-bromophenyl)-3-[4-(3,4-dimethoxyanilino)-6-quinazolinyl]thiourea IUPAC Name: 1-(4-bromophenyl)-3-[4-(3,4-dimethoxyanilino)quinazolin-6-yl]thiourea Traditional Name: 1-(4-bromophenyl)-3-[4-(3,4-dimethoxyanilino)quinazolin-6-yl]thiourea Formula: C23H20BrN5O2S MolecularWeight: 510.4062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=S)NC4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=S)NC4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C23H20BrN5O2S/c1-30-20-10-8-17(12-21(20)31-2)27-22-18-11-16(7-9-19(18)25-13-26-22)29-23(32)28-15-5-3-14(24)4-6-15/h3-13H,1-2H3,(H,25,26,27)(H2,28,29,32)