1-benzo[b]pyren-6-yl-3-methyl-urea

Systemtic Name: 1-benzo[b]pyren-6-yl-3-methyl-urea Openeye Name: 1-benzo[b]pyren-6-yl-3-methyl-urea CAS Name: 1-(6-benzo[b]pyrenyl)-3-methylurea IUPAC Name: 1-benzo[b]pyren-6-yl-3-methylurea Traditional Name: 1-benzo[b]pyren-6-yl-3-methyl-urea Formula: C22H16N2O MolecularWeight: 324.37524

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

Isomeric SMILES

CNC(=O)NC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

InChI

InChI=1S/C22H16N2O/c1-23-22(25)24-21-17-8-3-2-7-15(17)16-11-9-13-5-4-6-14-10-12-18(21)20(16)19(13)14/h2-12H,1H3,(H2,23,24,25)