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

Systemtic Name: 2-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]ethanamide Openeye Name: 2-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]acetamide CAS Name: 2-cyclohexyl-2-[[2-(cyclopropylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(4-isocyanophenyl)methyl]acetamide IUPAC Name: 2-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]acetamide Traditional Name: 2-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanobenzyl)acetamide Formula: C27H31N7O MolecularWeight: 469.58134

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CNC(=O)C(C2CCCCC2)NC3=NC(=NC(=C3)N4C=CC=C4)NC5CC5

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CNC(=O)C(C2CCCCC2)NC3=NC(=NC(=C3)N4C=CC=C4)NC5CC5

InChI

InChI=1S/C27H31N7O/c1-28-21-11-9-19(10-12-21)18-29-26(35)25(20-7-3-2-4-8-20)31-23-17-24(34-15-5-6-16-34)33-27(32-23)30-22-13-14-22/h5-6,9-12,15-17,20,22,25H,2-4,7-8,13-14,18H2,(H,29,35)(H2,30,31,32,33)