2-cyclohexyl-N-[(4-isocyanophenyl)methyl]-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]ethanamide

Systemtic Name: 2-cyclohexyl-N-[(4-isocyanophenyl)methyl]-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]ethanamide Openeye Name: 2-cyclohexyl-N-[(4-isocyanophenyl)methyl]-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]acetamide CAS Name: 2-cyclohexyl-N-[(4-isocyanophenyl)methyl]-2-[[2-(methylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]acetamide IUPAC Name: 2-cyclohexyl-N-[(4-isocyanophenyl)methyl]-2-[[2-(methylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]acetamide Traditional Name: 2-cyclohexyl-N-(4-isocyanobenzyl)-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]acetamide Formula: C25H29N7O MolecularWeight: 443.54406

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=CC(=N1)NC(C2CCCCC2)C(=O)NCC3=CC=C(C=C3)[N+]#[C-])N4C=CC=C4

Isomeric SMILES

CNC1=NC(=CC(=N1)NC(C2CCCCC2)C(=O)NCC3=CC=C(C=C3)[N+]#[C-])N4C=CC=C4

InChI

InChI=1S/C25H29N7O/c1-26-20-12-10-18(11-13-20)17-28-24(33)23(19-8-4-3-5-9-19)29-21-16-22(31-25(27-2)30-21)32-14-6-7-15-32/h6-7,10-16,19,23H,3-5,8-9,17H2,2H3,(H,28,33)(H2,27,29,30,31)