2-[[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[4-(1,3-benzodioxol-5-ylmethylamino)-2-quinazolinyl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[4-(piperonylamino)quinazolin-2-yl]thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C25H19N5O3S MolecularWeight: 469.51506

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)SCC5=CC(=O)N6C=CC=CC6=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)SCC5=CC(=O)N6C=CC=CC6=N5

InChI

InChI=1S/C25H19N5O3S/c31-23-12-17(27-22-7-3-4-10-30(22)23)14-34-25-28-19-6-2-1-5-18(19)24(29-25)26-13-16-8-9-20-21(11-16)33-15-32-20/h1-12H,13-15H2,(H,26,28,29)