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

Systemtic Name: 2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]hexanamide Openeye Name: 2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]hexanamide CAS Name: 2-[[2-(ethylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(4-isocyanophenyl)methyl]hexanamide IUPAC Name: 2-[[2-(ethylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]hexanamide Traditional Name: 2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanobenzyl)hexanamide Formula: C24H29N7O MolecularWeight: 431.53336

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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)NCC

Isomeric SMILES

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

InChI

InChI=1S/C24H29N7O/c1-4-6-9-20(23(32)27-17-18-10-12-19(25-3)13-11-18)28-21-16-22(31-14-7-8-15-31)30-24(29-21)26-5-2/h7-8,10-16,20H,4-6,9,17H2,1-2H3,(H,27,32)(H2,26,28,29,30)