tert-butyl 2-(8-azanyl-3-methylsulfanyl-imidazo[1,5-a]pyrazin-1-yl)indole-1-carboxylate

Systemtic Name: tert-butyl 2-(8-azanyl-3-methylsulfanyl-imidazo[1,5-a]pyrazin-1-yl)indole-1-carboxylate Openeye Name: tert-butyl 2-(8-amino-3-methylsulfanyl-imidazo[1,5-a]pyrazin-1-yl)indole-1-carboxylate CAS Name: 2-[8-amino-3-(methylthio)-1-imidazo[1,5-a]pyrazinyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(8-amino-3-methylsulfanylimidazo[1,5-a]pyrazin-1-yl)indole-1-carboxylate Traditional Name: 2-[8-amino-3-(methylthio)imidazo[1,5-a]pyrazin-1-yl]indole-1-carboxylic acid tert-butyl ester Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1C3=C4C(=NC=CN4C(=N3)SC)N

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1C3=C4C(=NC=CN4C(=N3)SC)N

InChI

InChI=1S/C20H21N5O2S/c1-20(2,3)27-19(26)25-13-8-6-5-7-12(13)11-14(25)15-16-17(21)22-9-10-24(16)18(23-15)28-4/h5-11H,1-4H3,(H2,21,22)