1-nonadecan-9-yl-3-([1,2]thiazolo[3,4-b]pyridin-3-ylamino)urea

Systemtic Name: 1-nonadecan-9-yl-3-([1,2]thiazolo[3,4-b]pyridin-3-ylamino)urea Openeye Name: 1-(isothiazolo[3,4-b]pyridin-3-ylamino)-3-(1-octylundecyl)urea CAS Name: 1-(3-isothiazolo[3,4-b]pyridinylamino)-3-nonadecan-9-ylurea IUPAC Name: 1-nonadecan-9-yl-3-([1,2]thiazolo[3,4-b]pyridin-3-ylamino)urea Traditional Name: 1-(isothiazolo[3,4-b]pyridin-3-ylamino)-3-(1-octylundecyl)urea Formula: C26H45N5OS MolecularWeight: 475.7334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)NC(=O)NNC1=C2C=CC=NC2=NS1

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)NC(=O)NNC1=C2C=CC=NC2=NS1

InChI

InChI=1S/C26H45N5OS/c1-3-5-7-9-11-12-14-16-19-22(18-15-13-10-8-6-4-2)28-26(32)30-29-25-23-20-17-21-27-24(23)31-33-25/h17,20-22,29H,3-16,18-19H2,1-2H3,(H2,28,30,32)