1-(1-adamantyl)-3-[4,6-bis(chloranyl)-5-phenyl-pyrimidin-2-yl]urea

Systemtic Name: 1-(1-adamantyl)-3-[4,6-bis(chloranyl)-5-phenyl-pyrimidin-2-yl]urea Openeye Name: 1-(1-adamantyl)-3-(4,6-dichloro-5-phenyl-pyrimidin-2-yl)urea CAS Name: 1-(1-adamantyl)-3-(4,6-dichloro-5-phenyl-2-pyrimidinyl)urea IUPAC Name: 1-(1-adamantyl)-3-(4,6-dichloro-5-phenylpyrimidin-2-yl)urea Traditional Name: 1-(1-adamantyl)-3-(4,6-dichloro-5-phenyl-pyrimidin-2-yl)urea Formula: C21H22Cl2N4O MolecularWeight: 417.33158

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=NC(=C(C(=N4)Cl)C5=CC=CC=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=NC(=C(C(=N4)Cl)C5=CC=CC=C5)Cl

InChI

InChI=1S/C21H22Cl2N4O/c22-17-16(15-4-2-1-3-5-15)18(23)25-19(24-17)26-20(28)27-21-9-12-6-13(10-21)8-14(7-12)11-21/h1-5,12-14H,6-11H2,(H2,24,25,26,27,28)