N-(4-dimethylaminophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(4-dimethylaminophenyl)-2-[[4-(ethylamino)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(4-dimethylaminophenyl)-2-[[4-(ethylamino)quinazolin-2-yl]thio]propionamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SC(C)C(=O)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SC(C)C(=O)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H25N5OS/c1-5-22-19-17-8-6-7-9-18(17)24-21(25-19)28-14(2)20(27)23-15-10-12-16(13-11-15)26(3)4/h6-14H,5H2,1-4H3,(H,23,27)(H,22,24,25)