2-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-[(1R)-1-phenylethyl]quinazolin-4-one

Systemtic Name: 2-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-[(1R)-1-phenylethyl]quinazolin-4-one Openeye Name: 2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-[(1R)-1-phenylethyl]quinazolin-4-one CAS Name: 2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-[(1R)-1-phenylethyl]-4-quinazolinone IUPAC Name: 2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-[(1R)-1-phenylethyl]quinazolin-4-one Traditional Name: 2-[(4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-[(1R)-1-phenylethyl]quinazolin-4-one Formula: C26H23N4O2S+ MolecularWeight: 455.55142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NC4=CC=CC=C4C(=O)N3C(C)C5=CC=CC=C5

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NC4=CC=CC=C4C(=O)N3[C@H](C)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O2S/c1-17-9-8-14-29-23(31)15-20(27-24(17)29)16-33-26-28-22-13-7-6-12-21(22)25(32)30(26)18(2)19-10-4-3-5-11-19/h3-15,18H,16H2,1-2H3/p+1/t18-/m1/s1