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

Systemtic Name: 2-[(2-azanyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-2-cyclohexyl-N-(7-isocyano-3,4-dihydro-2H-chromen-4-yl)ethanamide Openeye Name: 2-[(2-amino-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-2-cyclohexyl-N-(7-isocyanochroman-4-yl)acetamide CAS Name: 2-[[2-amino-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-2-cyclohexyl-N-(7-isocyano-3,4-dihydro-2H-1-benzopyran-4-yl)acetamide IUPAC Name: 2-[(2-amino-6-pyrrol-1-ylpyrimidin-4-yl)amino]-2-cyclohexyl-N-(7-isocyano-3,4-dihydro-2H-chromen-4-yl)acetamide Traditional Name: 2-[(2-amino-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-2-cyclohexyl-N-(7-isocyanochroman-4-yl)acetamide Formula: C26H29N7O2 MolecularWeight: 471.55416

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)C(CCO2)NC(=O)C(C3CCCCC3)NC4=NC(=NC(=C4)N5C=CC=C5)N

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)C(CCO2)NC(=O)C(C3CCCCC3)NC4=NC(=NC(=C4)N5C=CC=C5)N

InChI

InChI=1S/C26H29N7O2/c1-28-18-9-10-19-20(11-14-35-21(19)15-18)29-25(34)24(17-7-3-2-4-8-17)30-22-16-23(32-26(27)31-22)33-12-5-6-13-33/h5-6,9-10,12-13,15-17,20,24H,2-4,7-8,11,14H2,(H,29,34)(H3,27,30,31,32)