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

Systemtic Name: 5-ethylsulfanyl-11H-pyrimido[4,5-b][1,5]benzodiazepine Openeye Name: 5-ethylsulfanyl-11H-pyrimido[4,5-b][1,5]benzodiazepine CAS Name: 5-(ethylthio)-11H-pyrimido[4,5-b][1,5]benzodiazepine IUPAC Name: 5-ethylsulfanyl-11H-pyrimido[4,5-b][1,5]benzodiazepine Traditional Name: 5-(ethylthio)-11H-pyrimido[4,5-b][1,5]benzodiazepine Formula: C13H12N4S MolecularWeight: 256.32618

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CC=CC=C2NC3=NC=NC=C31

Isomeric SMILES

CCSC1=NC2=CC=CC=C2NC3=NC=NC=C31

InChI

InChI=1S/C13H12N4S/c1-2-18-13-9-7-14-8-15-12(9)16-10-5-3-4-6-11(10)17-13/h3-8H,2H2,1H3,(H,14,15,16)