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

Systemtic Name: 2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(2-furylmethylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[4-(2-furanylmethylamino)-2-quinazolinyl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[4-(2-furfurylamino)quinazolin-2-yl]thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C22H17N5O2S MolecularWeight: 415.46768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC(=O)N4C=CC=CC4=N3)NCC5=CC=CO5

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC(=O)N4C=CC=CC4=N3)NCC5=CC=CO5

InChI

InChI=1S/C22H17N5O2S/c28-20-12-15(24-19-9-3-4-10-27(19)20)14-30-22-25-18-8-2-1-7-17(18)21(26-22)23-13-16-6-5-11-29-16/h1-12H,13-14H2,(H,23,25,26)