9,10-diaminocarbonyl-3,4-bis[N'-(2,6-dimethylphenyl)carbamimidoyl]perylene-1-carboxylic acid

Systemtic Name: 9,10-diaminocarbonyl-3,4-bis[N'-(2,6-dimethylphenyl)carbamimidoyl]perylene-1-carboxylic acid Openeye Name: 9,10-dicarbamoyl-3,4-bis[N'-(2,6-dimethylphenyl)carbamimidoyl]perylene-1-carboxylic acid CAS Name: 3,4-bis[amino-(2,6-dimethylphenyl)iminomethyl]-9,10-dicarbamoyl-1-perylenecarboxylic acid IUPAC Name: 9,10-dicarbamoyl-3,4-bis[N'-(2,6-dimethylphenyl)carbamimidoyl]perylene-1-carboxylic acid Traditional Name: 9,10-dicarbamoyl-3,4-bis[N'-(2,6-dimethylphenyl)amidino]perylene-1-carboxylic acid Formula: C41H34N6O4 MolecularWeight: 674.74646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C(C2=C3C(=CC(=C4C3=C(C=C2)C5=C6C4=CC=C(C6=C(C=C5)C(=O)N)C(=O)N)C(=O)O)C(=NC7=C(C=CC=C7C)C)N)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C(C2=C3C(=CC(=C4C3=C(C=C2)C5=C6C4=CC=C(C6=C(C=C5)C(=O)N)C(=O)N)C(=O)O)C(=NC7=C(C=CC=C7C)C)N)N

InChI

InChI=1S/C41H34N6O4/c1-18-7-5-8-19(2)35(18)46-37(42)25-14-11-23-22-12-15-26(39(44)48)33-27(40(45)49)16-13-24(30(22)33)31-29(41(50)51)17-28(32(25)34(23)31)38(43)47-36-20(3)9-6-10-21(36)4/h5-17H,1-4H3,(H2,42,46)(H2,43,47)(H2,44,48)(H2,45,49)(H,50,51)