3-methylsulfanyl-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione

Systemtic Name: 3-methylsulfanyl-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione Openeye Name: 3-methylsulfanyl-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione CAS Name: 3-(methylthio)-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione IUPAC Name: 3-methylsulfanyl-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione Traditional Name: 3-(methylthio)-4,8,9,10-tetrahydropyrimid[4,5-c]isoquinoline-1,7-quinone Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C3CCCC(=O)C3=CN=C2N1

Isomeric SMILES

CSC1=NC(=O)C2=C3CCCC(=O)C3=CN=C2N1

InChI

InChI=1S/C12H11N3O2S/c1-18-12-14-10-9(11(17)15-12)6-3-2-4-8(16)7(6)5-13-10/h5H,2-4H2,1H3,(H,13,14,15,17)