3-[(2R)-1-methoxypropan-2-yl]-2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[(2R)-1-methoxypropan-2-yl]-2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[(1R)-2-methoxy-1-methyl-ethyl]-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[(2R)-1-methoxypropan-2-yl]-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-[(2R)-1-methoxypropan-2-yl]-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-[(1R)-2-methoxy-1-methyl-ethyl]quinazolin-4-one Formula: C22H23N4O3S+ MolecularWeight: 423.50802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=CC=CC=C4C(=O)N3C(C)COC

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=CC=CC=C4C(=O)N3[C@H](C)COC

InChI

InChI=1S/C22H22N4O3S/c1-14-8-9-19-23-16(10-20(27)25(19)11-14)13-30-22-24-18-7-5-4-6-17(18)21(28)26(22)15(2)12-29-3/h4-11,15H,12-13H2,1-3H3/p+1/t15-/m1/s1