6-chloranyl-2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[4-(ethylamino)-2-quinazolinyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[4-(ethylamino)quinazolin-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C19H16ClN5OS MolecularWeight: 397.88124

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C19H16ClN5OS/c1-2-21-17-12-5-3-4-6-14(12)23-19(25-17)27-10-16-22-15-8-7-11(20)9-13(15)18(26)24-16/h3-9H,2,10H2,1H3,(H,21,23,25)(H,22,24,26)