9,9-dimethyl-3-methylsulfanyl-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione

Systemtic Name: 9,9-dimethyl-3-methylsulfanyl-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione Openeye Name: 9,9-dimethyl-3-methylsulfanyl-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione CAS Name: 9,9-dimethyl-3-(methylthio)-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione IUPAC Name: 9,9-dimethyl-3-methylsulfanyl-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione Traditional Name: 9,9-dimethyl-3-(methylthio)-8,10-dihydro-4H-pyrimid[4,5-c]isoquinoline-1,7-quinone Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C3C(=NC=C2C(=O)C1)NC(=NC3=O)SC)C

Isomeric SMILES

CC1(CC2=C3C(=NC=C2C(=O)C1)NC(=NC3=O)SC)C

InChI

InChI=1S/C14H15N3O2S/c1-14(2)4-7-8(9(18)5-14)6-15-11-10(7)12(19)17-13(16-11)20-3/h6H,4-5H2,1-3H3,(H,15,16,17,19)