6-methyl-2-methylsulfanyl-11-propan-2-yl-pyrimido[4,5-b][1,5]benzodiazepin-5-one

Systemtic Name: 6-methyl-2-methylsulfanyl-11-propan-2-yl-pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 11-isopropyl-6-methyl-2-methylsulfanyl-pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 6-methyl-2-(methylthio)-11-propan-2-yl-5-pyrimido[4,5-b][1,5]benzodiazepinone IUPAC Name: 6-methyl-2-methylsulfanyl-11-propan-2-ylpyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 11-isopropyl-6-methyl-2-(methylthio)pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N(C(=O)C3=CN=C(N=C31)SC)C

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N(C(=O)C3=CN=C(N=C31)SC)C

InChI

InChI=1S/C16H18N4OS/c1-10(2)20-13-8-6-5-7-12(13)19(3)15(21)11-9-17-16(22-4)18-14(11)20/h5-10H,1-4H3