N-[(2-chloranyl-4-isocyano-phenyl)methyl]-4-methyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]pentanamide

Systemtic Name: N-[(2-chloranyl-4-isocyano-phenyl)methyl]-4-methyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]pentanamide Openeye Name: N-[(2-chloro-4-isocyano-phenyl)methyl]-4-methyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]pentanamide CAS Name: N-[(2-chloro-4-isocyanophenyl)methyl]-4-methyl-2-[[2-(methylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]pentanamide IUPAC Name: N-[(2-chloro-4-isocyanophenyl)methyl]-4-methyl-2-[[2-(methylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]pentanamide Traditional Name: N-(2-chloro-4-isocyano-benzyl)-4-methyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]valeramide Formula: C23H26ClN7O MolecularWeight: 451.95184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=C(C=C(C=C1)[N+]#[C-])Cl)NC2=NC(=NC(=C2)N3C=CC=C3)NC

Isomeric SMILES

CC(C)CC(C(=O)NCC1=C(C=C(C=C1)[N+]#[C-])Cl)NC2=NC(=NC(=C2)N3C=CC=C3)NC

InChI

InChI=1S/C23H26ClN7O/c1-15(2)11-19(22(32)27-14-16-7-8-17(25-3)12-18(16)24)28-20-13-21(30-23(26-4)29-20)31-9-5-6-10-31/h5-10,12-13,15,19H,11,14H2,1-2,4H3,(H,27,32)(H2,26,28,29,30)