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

Systemtic Name: 2-[[4-(phenethylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(phenethylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[4-(phenethylamino)-2-quinazolinyl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(phenethylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[4-(phenethylamino)quinazolin-2-yl]thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=O)N5C=CC=CC5=N4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=O)N5C=CC=CC5=N4

InChI

InChI=1S/C25H21N5OS/c31-23-16-19(27-22-12-6-7-15-30(22)23)17-32-25-28-21-11-5-4-10-20(21)24(29-25)26-14-13-18-8-2-1-3-9-18/h1-12,15-16H,13-14,17H2,(H,26,28,29)