2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-butyl-6-morpholin-4-yl-quinazolin-4-one

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-butyl-6-morpholin-4-yl-quinazolin-4-one Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-butyl-6-morpholino-quinazolin-4-one CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-butyl-6-(4-morpholinyl)-4-quinazolinone IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-butyl-6-morpholin-4-ylquinazolin-4-one Traditional Name: 2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-3-butyl-6-morpholino-quinazolin-4-one Formula: C25H26BrN5O3S MolecularWeight: 556.47464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SCC4=CC(=O)N5C=C(C=CC5=N4)Br

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SCC4=CC(=O)N5C=C(C=CC5=N4)Br

InChI

InChI=1S/C25H26BrN5O3S/c1-2-3-8-30-24(33)20-14-19(29-9-11-34-12-10-29)5-6-21(20)28-25(30)35-16-18-13-23(32)31-15-17(26)4-7-22(31)27-18/h4-7,13-15H,2-3,8-12,16H2,1H3