N-(7-isocyano-3,4-dihydro-2H-chromen-4-yl)-4-methyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]pentanamide

Systemtic Name: N-(7-isocyano-3,4-dihydro-2H-chromen-4-yl)-4-methyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]pentanamide Openeye Name: N-(7-isocyanochroman-4-yl)-4-methyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]pentanamide CAS Name: N-(7-isocyano-3,4-dihydro-2H-1-benzopyran-4-yl)-4-methyl-2-[[2-(methylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]pentanamide IUPAC Name: N-(7-isocyano-3,4-dihydro-2H-chromen-4-yl)-4-methyl-2-[[2-(methylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]pentanamide Traditional Name: N-(7-isocyanochroman-4-yl)-4-methyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]valeramide Formula: C25H29N7O2 MolecularWeight: 459.54346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCOC2=C1C=CC(=C2)[N+]#[C-])NC3=NC(=NC(=C3)N4C=CC=C4)NC

Isomeric SMILES

CC(C)CC(C(=O)NC1CCOC2=C1C=CC(=C2)[N+]#[C-])NC3=NC(=NC(=C3)N4C=CC=C4)NC

InChI

InChI=1S/C25H29N7O2/c1-16(2)13-20(28-22-15-23(31-25(27-4)30-22)32-10-5-6-11-32)24(33)29-19-9-12-34-21-14-17(26-3)7-8-18(19)21/h5-8,10-11,14-16,19-20H,9,12-13H2,1-2,4H3,(H,29,33)(H2,27,28,30,31)