1-[5-(2-azanylpyrimidin-5-yl)-7-pyridin-3-yl-1,3-benzothiazol-2-yl]-3-ethyl-urea

Systemtic Name: 1-[5-(2-azanylpyrimidin-5-yl)-7-pyridin-3-yl-1,3-benzothiazol-2-yl]-3-ethyl-urea Openeye Name: 1-[5-(2-aminopyrimidin-5-yl)-7-(3-pyridyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea CAS Name: 1-[5-(2-amino-5-pyrimidinyl)-7-(3-pyridinyl)-1,3-benzothiazol-2-yl]-3-ethylurea IUPAC Name: 1-[5-(2-aminopyrimidin-5-yl)-7-pyridin-3-yl-1,3-benzothiazol-2-yl]-3-ethylurea Traditional Name: 1-[5-(2-aminopyrimidin-5-yl)-7-(3-pyridyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea Formula: C19H17N7OS MolecularWeight: 391.44958

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=CC(=CC(=C2S1)C3=CN=CC=C3)C4=CN=C(N=C4)N

Isomeric SMILES

CCNC(=O)NC1=NC2=CC(=CC(=C2S1)C3=CN=CC=C3)C4=CN=C(N=C4)N

InChI

InChI=1S/C19H17N7OS/c1-2-22-18(27)26-19-25-15-7-12(13-9-23-17(20)24-10-13)6-14(16(15)28-19)11-4-3-5-21-8-11/h3-10H,2H2,1H3,(H2,20,23,24)(H2,22,25,26,27)