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

Systemtic Name: 2-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]ethanamide Openeye Name: 2-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]acetamide CAS Name: 2-cyclohexyl-2-[[2-(ethylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(4-isocyanophenyl)methyl]acetamide IUPAC Name: 2-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]acetamide Traditional Name: 2-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanobenzyl)acetamide Formula: C26H31N7O MolecularWeight: 457.57064

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=CC(=N1)NC(C2CCCCC2)C(=O)NCC3=CC=C(C=C3)[N+]#[C-])N4C=CC=C4

Isomeric SMILES

CCNC1=NC(=CC(=N1)NC(C2CCCCC2)C(=O)NCC3=CC=C(C=C3)[N+]#[C-])N4C=CC=C4

InChI

InChI=1S/C26H31N7O/c1-3-28-26-31-22(17-23(32-26)33-15-7-8-16-33)30-24(20-9-5-4-6-10-20)25(34)29-18-19-11-13-21(27-2)14-12-19/h7-8,11-17,20,24H,3-6,9-10,18H2,1H3,(H,29,34)(H2,28,30,31,32)