2-methylsulfanyl-3-(phenylsulfonyl)pyrimido[2,1-a]isoquinolin-4-imine

Systemtic Name: 2-methylsulfanyl-3-(phenylsulfonyl)pyrimido[2,1-a]isoquinolin-4-imine Openeye Name: 3-(benzenesulfonyl)-2-methylsulfanyl-pyrimido[2,1-a]isoquinolin-4-imine CAS Name: 3-(benzenesulfonyl)-2-(methylthio)-4-pyrimido[2,1-a]isoquinolinimine IUPAC Name: 3-(benzenesulfonyl)-2-methylsulfanylpyrimido[2,1-a]isoquinolin-4-imine Traditional Name: [3-besyl-2-(methylthio)pyrimid[2,1-a]isoquinolin-4-ylidene]amine Formula: C19H15N3O2S2 MolecularWeight: 381.4713

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=N)N2C=CC3=CC=CC=C3C2=N1)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=C(C(=N)N2C=CC3=CC=CC=C3C2=N1)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H15N3O2S2/c1-25-19-16(26(23,24)14-8-3-2-4-9-14)17(20)22-12-11-13-7-5-6-10-15(13)18(22)21-19/h2-12,20H,1H3