ethyl 5-heptylsulfanylimidazo[1,5-a]quinazoline-3-carboxylate

Systemtic Name: ethyl 5-heptylsulfanylimidazo[1,5-a]quinazoline-3-carboxylate Openeye Name: ethyl 5-heptylsulfanylimidazo[1,5-a]quinazoline-3-carboxylate CAS Name: 5-(heptylthio)-3-imidazo[1,5-a]quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-heptylsulfanylimidazo[1,5-a]quinazoline-3-carboxylate Traditional Name: 5-(heptylthio)imidazo[1,5-a]quinazoline-3-carboxylic acid ethyl ester Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(N=CN2C3=CC=CC=C31)C(=O)OCC

Isomeric SMILES

CCCCCCCSC1=NC2=C(N=CN2C3=CC=CC=C31)C(=O)OCC

InChI

InChI=1S/C20H25N3O2S/c1-3-5-6-7-10-13-26-19-15-11-8-9-12-16(15)23-14-21-17(18(23)22-19)20(24)25-4-2/h8-9,11-12,14H,3-7,10,13H2,1-2H3