4-(1,3-benzothiazol-6-ylsulfanyl)-6-butoxy-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-amine

Systemtic Name: 4-(1,3-benzothiazol-6-ylsulfanyl)-6-butoxy-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-amine Openeye Name: 4-(1,3-benzothiazol-6-ylsulfanyl)-6-butoxy-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-amine CAS Name: 4-(1,3-benzothiazol-6-ylthio)-6-butoxy-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrimidinamine IUPAC Name: 4-(1,3-benzothiazol-6-ylsulfanyl)-6-butoxy-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-amine Traditional Name: [4-(1,3-benzothiazol-6-ylthio)-6-butoxy-pyrimidin-2-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)amine Formula: C21H22N6OS2 MolecularWeight: 438.56898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=NC(=N1)NC2=NNC(=C2)C3CC3)SC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CCCCOC1=CC(=NC(=N1)NC2=NNC(=C2)C3CC3)SC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C21H22N6OS2/c1-2-3-8-28-19-11-20(30-14-6-7-15-17(9-14)29-12-22-15)25-21(24-19)23-18-10-16(26-27-18)13-4-5-13/h6-7,9-13H,2-5,8H2,1H3,(H2,23,24,25,26,27)