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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1CC2=C(C=C(C=C2)[N+]#[C-])OC1)NC3=NC(=NC(=C3)N4C=CC=C4)N

Isomeric SMILES

CC(C)CC(C(=O)NCC1CC2=C(C=C(C=C2)[N+]#[C-])OC1)NC3=NC(=NC(=C3)N4C=CC=C4)N

InChI

InChI=1S/C25H29N7O2/c1-16(2)10-20(29-22-13-23(31-25(26)30-22)32-8-4-5-9-32)24(33)28-14-17-11-18-6-7-19(27-3)12-21(18)34-15-17/h4-9,12-13,16-17,20H,10-11,14-15H2,1-2H3,(H,28,33)(H3,26,29,30,31)