2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-2-cyclohexyl-N-[(4-isocyanophenyl)methyl]ethanamide

Systemtic Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-2-cyclohexyl-N-[(4-isocyanophenyl)methyl]ethanamide Openeye Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-2-cyclohexyl-N-[(4-isocyanophenyl)methyl]acetamide CAS Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-2-cyclohexyl-N-[(4-isocyanophenyl)methyl]acetamide IUPAC Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-ylpyrimidin-4-yl]amino]-2-cyclohexyl-N-[(4-isocyanophenyl)methyl]acetamide Traditional Name: 2-[[2-[(3-cyanobenzyl)amino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-2-cyclohexyl-N-(4-isocyanobenzyl)acetamide Formula: C32H32N8O MolecularWeight: 544.64948

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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)NCC5=CC=CC(=C5)C#N

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CNC(=O)C(C2CCCCC2)NC3=NC(=NC(=C3)N4C=CC=C4)NCC5=CC=CC(=C5)C#N

InChI

InChI=1S/C32H32N8O/c1-34-27-14-12-23(13-15-27)21-35-31(41)30(26-10-3-2-4-11-26)37-28-19-29(40-16-5-6-17-40)39-32(38-28)36-22-25-9-7-8-24(18-25)20-33/h5-9,12-19,26,30H,2-4,10-11,21-22H2,(H,35,41)(H2,36,37,38,39)