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

Systemtic Name: 7-chloranyl-2-[[4-(cyclohexylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-chloro-2-[[4-(cyclohexylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-chloro-2-[[[4-(cyclohexylamino)-2-quinazolinyl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-chloro-2-[[4-(cyclohexylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-chloro-2-[[[4-(cyclohexylamino)quinazolin-2-yl]thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C23H22ClN5OS MolecularWeight: 451.97168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN5OS/c24-15-10-11-20-25-17(12-21(30)29(20)13-15)14-31-23-27-19-9-5-4-8-18(19)22(28-23)26-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14H2,(H,26,27,28)