2-[[4-(butylamino)quinazolin-2-yl]sulfanylmethyl]-7-chloranyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[4-(butylamino)quinazolin-2-yl]sulfanylmethyl]-7-chloranyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(butylamino)quinazolin-2-yl]sulfanylmethyl]-7-chloro-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[4-(butylamino)-2-quinazolinyl]thio]methyl]-7-chloro-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(butylamino)quinazolin-2-yl]sulfanylmethyl]-7-chloropyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[4-(butylamino)quinazolin-2-yl]thio]methyl]-7-chloro-pyrido[1,2-a]pyrimidin-4-one Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SCC3=CC(=O)N4C=C(C=CC4=N3)Cl

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SCC3=CC(=O)N4C=C(C=CC4=N3)Cl

InChI

InChI=1S/C21H20ClN5OS/c1-2-3-10-23-20-16-6-4-5-7-17(16)25-21(26-20)29-13-15-11-19(28)27-12-14(22)8-9-18(27)24-15/h4-9,11-12H,2-3,10,13H2,1H3,(H,23,25,26)