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

Systemtic Name: 1-(3-cyanophenyl)-3-[4-[(3,4-dimethoxyphenyl)amino]quinazolin-6-yl]thiourea Openeye Name: 1-(3-cyanophenyl)-3-[4-(3,4-dimethoxyanilino)quinazolin-6-yl]thiourea CAS Name: 1-(3-cyanophenyl)-3-[4-(3,4-dimethoxyanilino)-6-quinazolinyl]thiourea IUPAC Name: 1-(3-cyanophenyl)-3-[4-(3,4-dimethoxyanilino)quinazolin-6-yl]thiourea Traditional Name: 1-(3-cyanophenyl)-3-[4-(3,4-dimethoxyanilino)quinazolin-6-yl]thiourea Formula: C24H20N6O2S MolecularWeight: 456.5196

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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=CC(=C4)C#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H20N6O2S/c1-31-21-9-7-18(12-22(21)32-2)28-23-19-11-17(6-8-20(19)26-14-27-23)30-24(33)29-16-5-3-4-15(10-16)13-25/h3-12,14H,1-2H3,(H,26,27,28)(H2,29,30,33)