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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(6-methoxy-1H-indol-3-yl)ethyl]carbamimidoyl]propanamide Openeye Name: N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(6-methoxy-1H-indol-3-yl)ethyl]carbamimidoyl]-2-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-[2-(6-methoxy-1H-indol-3-yl)ethylimino]methyl]-2-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(6-methoxy-1H-indol-3-yl)ethyl]carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(6-methoxy-1H-indol-3-yl)ethyl]amidino]-2-phthalimido-propionamide Formula: C29H29N7O4 MolecularWeight: 539.58506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N7O4/c1-16-13-17(2)33-29(32-16)35-28(30-12-11-19-15-31-24-14-20(40-4)9-10-21(19)24)34-25(37)18(3)36-26(38)22-7-5-6-8-23(22)27(36)39/h5-10,13-15,18,31H,11-12H2,1-4H3,(H2,30,32,33,34,35,37)