9,10-diaminocarbonyl-3,4-bis(N'-tert-butylcarbamimidoyl)perylene-1-carboxylic acid

Systemtic Name: 9,10-diaminocarbonyl-3,4-bis(N'-tert-butylcarbamimidoyl)perylene-1-carboxylic acid Openeye Name: 3,4-bis(N'-tert-butylcarbamimidoyl)-9,10-dicarbamoyl-perylene-1-carboxylic acid CAS Name: 3,4-bis[amino(tert-butylimino)methyl]-9,10-dicarbamoyl-1-perylenecarboxylic acid IUPAC Name: 3,4-bis(N'-tert-butylcarbamimidoyl)-9,10-dicarbamoylperylene-1-carboxylic acid Traditional Name: 3,4-bis(N'-tert-butylamidino)-9,10-dicarbamoyl-perylene-1-carboxylic acid Formula: C33H34N6O4 MolecularWeight: 578.66086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(C1=C2C(=CC(=C3C2=C(C=C1)C4=C5C3=CC=C(C5=C(C=C4)C(=O)N)C(=O)N)C(=O)O)C(=NC(C)(C)C)N)N

Isomeric SMILES

CC(C)(C)N=C(C1=C2C(=CC(=C3C2=C(C=C1)C4=C5C3=CC=C(C5=C(C=C4)C(=O)N)C(=O)N)C(=O)O)C(=NC(C)(C)C)N)N

InChI

InChI=1S/C33H34N6O4/c1-32(2,3)38-27(34)17-10-7-15-14-8-11-18(29(36)40)25-19(30(37)41)12-9-16(22(14)25)23-21(31(42)43)13-20(24(17)26(15)23)28(35)39-33(4,5)6/h7-13H,1-6H3,(H2,34,38)(H2,35,39)(H2,36,40)(H2,37,41)(H,42,43)