11-ethyl-5-ethylsulfanyl-pyrimido[4,5-b][1,5]benzodiazepine

Systemtic Name: 11-ethyl-5-ethylsulfanyl-pyrimido[4,5-b][1,5]benzodiazepine Openeye Name: 11-ethyl-5-ethylsulfanyl-pyrimido[4,5-b][1,5]benzodiazepine CAS Name: 11-ethyl-5-(ethylthio)pyrimido[4,5-b][1,5]benzodiazepine IUPAC Name: 11-ethyl-5-ethylsulfanylpyrimido[4,5-b][1,5]benzodiazepine Traditional Name: 11-ethyl-5-(ethylthio)pyrimido[4,5-b][1,5]benzodiazepine Formula: C15H16N4S MolecularWeight: 284.37934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C(C3=CN=CN=C31)SCC

Isomeric SMILES

CCN1C2=CC=CC=C2N=C(C3=CN=CN=C31)SCC

InChI

InChI=1S/C15H16N4S/c1-3-19-13-8-6-5-7-12(13)18-15(20-4-2)11-9-16-10-17-14(11)19/h5-10H,3-4H2,1-2H3