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

Systemtic Name: 2-[[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(benzylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[4-[(phenylmethyl)amino]-2-quinazolinyl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(benzylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[4-(benzylamino)quinazolin-2-yl]thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C24H19N5OS MolecularWeight: 425.50556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=O)N5C=CC=CC5=N4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=O)N5C=CC=CC5=N4

InChI

InChI=1S/C24H19N5OS/c30-22-14-18(26-21-12-6-7-13-29(21)22)16-31-24-27-20-11-5-4-10-19(20)23(28-24)25-15-17-8-2-1-3-9-17/h1-14H,15-16H2,(H,25,27,28)