1-(1,3-benzodioxol-5-yl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[[6-(1-imidazolyl)-4-pyrimidinyl]amino]phenyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea Formula: C21H17N7O3 MolecularWeight: 415.40478

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=C(C=C3)NC4=NC=NC(=C4)N5C=CN=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=C(C=C3)NC4=NC=NC(=C4)N5C=CN=C5

InChI

InChI=1S/C21H17N7O3/c29-21(27-16-5-6-17-18(9-16)31-13-30-17)26-15-3-1-14(2-4-15)25-19-10-20(24-11-23-19)28-8-7-22-12-28/h1-12H,13H2,(H,23,24,25)(H2,26,27,29)