2-[(2-azanyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-N-[(2-chloranyl-4-isocyano-phenyl)methyl]-3-cyclohexyl-propanamide

Systemtic Name: 2-[(2-azanyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-N-[(2-chloranyl-4-isocyano-phenyl)methyl]-3-cyclohexyl-propanamide Openeye Name: 2-[(2-amino-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-N-[(2-chloro-4-isocyano-phenyl)methyl]-3-cyclohexyl-propanamide CAS Name: 2-[[2-amino-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(2-chloro-4-isocyanophenyl)methyl]-3-cyclohexylpropanamide IUPAC Name: 2-[(2-amino-6-pyrrol-1-ylpyrimidin-4-yl)amino]-N-[(2-chloro-4-isocyanophenyl)methyl]-3-cyclohexylpropanamide Traditional Name: 2-[(2-amino-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-N-(2-chloro-4-isocyano-benzyl)-3-cyclohexyl-propionamide Formula: C25H28ClN7O MolecularWeight: 477.98912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN7O/c1-28-19-10-9-18(20(26)14-19)16-29-24(34)21(13-17-7-3-2-4-8-17)30-22-15-23(32-25(27)31-22)33-11-5-6-12-33/h5-6,9-12,14-15,17,21H,2-4,7-8,13,16H2,(H,29,34)(H3,27,30,31,32)