2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]hexanamide

Systemtic Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]hexanamide Openeye Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]hexanamide CAS Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(4-isocyanophenyl)methyl]hexanamide IUPAC Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]hexanamide Traditional Name: 2-[[2-[(3-cyanobenzyl)amino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanobenzyl)hexanamide Formula: C30H30N8O MolecularWeight: 518.6122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC1=CC=C(C=C1)[N+]#[C-])NC2=NC(=NC(=C2)N3C=CC=C3)NCC4=CC=CC(=C4)C#N

Isomeric SMILES

CCCCC(C(=O)NCC1=CC=C(C=C1)[N+]#[C-])NC2=NC(=NC(=C2)N3C=CC=C3)NCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C30H30N8O/c1-3-4-10-26(29(39)33-20-22-11-13-25(32-2)14-12-22)35-27-18-28(38-15-5-6-16-38)37-30(36-27)34-21-24-9-7-8-23(17-24)19-31/h5-9,11-18,26H,3-4,10,20-21H2,1H3,(H,33,39)(H2,34,35,36,37)