1-[5-bromanyl-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]-3-phenyl-urea

Systemtic Name: 1-[5-bromanyl-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]-3-phenyl-urea Openeye Name: 1-[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]-3-phenyl-urea CAS Name: 1-[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]-2-pyrimidinyl]-3-phenylurea IUPAC Name: 1-[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]-3-phenylurea Traditional Name: 1-[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]-3-phenyl-urea Formula: C16H16BrN7O MolecularWeight: 402.24854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=NC=C(C(=N2)NCCC3=CN=CN3)Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=NC=C(C(=N2)NCCC3=CN=CN3)Br

InChI

InChI=1S/C16H16BrN7O/c17-13-9-20-15(24-16(25)22-11-4-2-1-3-5-11)23-14(13)19-7-6-12-8-18-10-21-12/h1-5,8-10H,6-7H2,(H,18,21)(H3,19,20,22,23,24,25)