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

Systemtic Name: 2-[(2-chloranyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-2-cyclohexyl-N-[(4-isocyanophenyl)methyl]ethanamide Openeye Name: 2-[(2-chloro-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-2-cyclohexyl-N-[(4-isocyanophenyl)methyl]acetamide CAS Name: 2-[[2-chloro-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-2-cyclohexyl-N-[(4-isocyanophenyl)methyl]acetamide IUPAC Name: 2-[(2-chloro-6-pyrrol-1-ylpyrimidin-4-yl)amino]-2-cyclohexyl-N-[(4-isocyanophenyl)methyl]acetamide Traditional Name: 2-[(2-chloro-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-2-cyclohexyl-N-(4-isocyanobenzyl)acetamide Formula: C24H25ClN6O MolecularWeight: 448.9479

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN6O/c1-26-19-11-9-17(10-12-19)16-27-23(32)22(18-7-3-2-4-8-18)28-20-15-21(30-24(25)29-20)31-13-5-6-14-31/h5-6,9-15,18,22H,2-4,7-8,16H2,(H,27,32)(H,28,29,30)