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

Systemtic Name: 2-[[4-(cyclohexylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(cyclohexylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[4-(cyclohexylamino)-2-quinazolinyl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(cyclohexylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[4-(cyclohexylamino)quinazolin-2-yl]thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C23H23N5OS MolecularWeight: 417.52662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)SCC4=CC(=O)N5C=CC=CC5=N4

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)SCC4=CC(=O)N5C=CC=CC5=N4

InChI

InChI=1S/C23H23N5OS/c29-21-14-17(24-20-12-6-7-13-28(20)21)15-30-23-26-19-11-5-4-10-18(19)22(27-23)25-16-8-2-1-3-9-16/h4-7,10-14,16H,1-3,8-9,15H2,(H,25,26,27)