1-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-3-pyren-1-yl-urea

Systemtic Name: 1-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-3-pyren-1-yl-urea Openeye Name: 1-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-3-pyren-1-yl-urea CAS Name: 1-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-3-(1-pyrenyl)urea IUPAC Name: 1-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-3-pyren-1-ylurea Traditional Name: 1-[4,6-bis(trichloromethyl)-s-triazin-2-yl]-3-pyren-1-yl-urea Formula: C22H11Cl6N5O MolecularWeight: 574.07364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)NC(=O)NC5=NC(=NC(=N5)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)NC(=O)NC5=NC(=NC(=N5)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C22H11Cl6N5O/c23-21(24,25)17-30-18(22(26,27)28)32-19(31-17)33-20(34)29-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,(H2,29,30,31,32,33,34)