1-acridin-9-yl-3-[2,3-bis(bromanyl)prop-2-enyl]urea

Systemtic Name: 1-acridin-9-yl-3-[2,3-bis(bromanyl)prop-2-enyl]urea Openeye Name: 1-acridin-9-yl-3-(2,3-dibromoallyl)urea CAS Name: 1-(9-acridinyl)-3-(2,3-dibromoprop-2-enyl)urea IUPAC Name: 1-acridin-9-yl-3-(2,3-dibromoprop-2-enyl)urea Traditional Name: 1-acridin-9-yl-3-(2,3-dibromoallyl)urea Formula: C34H26Br4N6O2 MolecularWeight: 870.22524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=O)NCC(=CBr)Br.C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=O)NCC(=CBr)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=O)NCC(=CBr)Br.C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=O)NCC(=CBr)Br

InChI

InChI=1S/2C17H13Br2N3O/c2*18-9-11(19)10-20-17(23)22-16-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)16/h2*1-9H,10H2,(H2,20,21,22,23)