8-[2-(1,3-benzothiazol-2-ylamino)ethylamino]-6-tert-butyl-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

Systemtic Name: 8-[2-(1,3-benzothiazol-2-ylamino)ethylamino]-6-tert-butyl-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one Openeye Name: 8-[2-(1,3-benzothiazol-2-ylamino)ethylamino]-6-tert-butyl-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one CAS Name: 8-[2-(1,3-benzothiazol-2-ylamino)ethylamino]-6-tert-butyl-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one IUPAC Name: 8-[2-(1,3-benzothiazol-2-ylamino)ethylamino]-6-tert-butyl-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one Traditional Name: 8-[2-(1,3-benzothiazol-2-ylamino)ethylamino]-6-tert-butyl-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one Formula: C18H21N7OS MolecularWeight: 383.47064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN2C(=NNC2=O)C(=N1)NCCNC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CN2C(=NNC2=O)C(=N1)NCCNC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H21N7OS/c1-18(2,3)13-10-25-15(23-24-17(25)26)14(22-13)19-8-9-20-16-21-11-6-4-5-7-12(11)27-16/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H,20,21)(H,24,26)