N-(3,5-dimethoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine Openeye Name: N-(3,5-dimethoxyphenyl)-2-(4-pyridylmethylsulfanyl)quinazolin-4-amine CAS Name: N-(3,5-dimethoxyphenyl)-2-(pyridin-4-ylmethylthio)-4-quinazolinamine IUPAC Name: N-(3,5-dimethoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine Traditional Name: (3,5-dimethoxyphenyl)-[2-(4-pyridylmethylthio)quinazolin-4-yl]amine Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC2=NC(=NC3=CC=CC=C32)SCC4=CC=NC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC2=NC(=NC3=CC=CC=C32)SCC4=CC=NC=C4)OC

InChI

InChI=1S/C22H20N4O2S/c1-27-17-11-16(12-18(13-17)28-2)24-21-19-5-3-4-6-20(19)25-22(26-21)29-14-15-7-9-23-10-8-15/h3-13H,14H2,1-2H3,(H,24,25,26)