2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[N'-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]propanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[N'-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]propanamide Openeye Name: N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[2-(5-chloro-1H-indol-3-yl)ethylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-2-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)amidino]-2-phthalimido-propionamide Formula: C28H26ClN7O3 MolecularWeight: 544.00414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC(=O)C(C)N4C(=O)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC(=O)C(C)N4C(=O)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C28H26ClN7O3/c1-15-12-16(2)33-28(32-15)35-27(30-11-10-18-14-31-23-9-8-19(29)13-22(18)23)34-24(37)17(3)36-25(38)20-6-4-5-7-21(20)26(36)39/h4-9,12-14,17,31H,10-11H2,1-3H3,(H2,30,32,33,34,35,37)