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

Systemtic Name: 3-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanophenyl)propanamide Openeye Name: 3-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanophenyl)propanamide CAS Name: 3-cyclohexyl-2-[[2-(cyclopropylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-(4-isocyanophenyl)propanamide IUPAC Name: 3-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-(4-isocyanophenyl)propanamide Traditional Name: 3-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanophenyl)propionamide Formula: C27H31N7O MolecularWeight: 469.58134

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)NC(=O)C(CC2CCCCC2)NC3=NC(=NC(=C3)N4C=CC=C4)NC5CC5

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)NC(=O)C(CC2CCCCC2)NC3=NC(=NC(=C3)N4C=CC=C4)NC5CC5

InChI

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