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

Systemtic Name: 2-[(2-chloranyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-3-cyclohexyl-N-(7-isocyano-3,4-dihydro-2H-chromen-4-yl)propanamide Openeye Name: 2-[(2-chloro-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-3-cyclohexyl-N-(7-isocyanochroman-4-yl)propanamide CAS Name: 2-[[2-chloro-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-3-cyclohexyl-N-(7-isocyano-3,4-dihydro-2H-1-benzopyran-4-yl)propanamide IUPAC Name: 2-[(2-chloro-6-pyrrol-1-ylpyrimidin-4-yl)amino]-3-cyclohexyl-N-(7-isocyano-3,4-dihydro-2H-chromen-4-yl)propanamide Traditional Name: 2-[(2-chloro-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-3-cyclohexyl-N-(7-isocyanochroman-4-yl)propionamide Formula: C27H29ClN6O2 MolecularWeight: 505.01116

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)C(CCO2)NC(=O)C(CC3CCCCC3)NC4=NC(=NC(=C4)N5C=CC=C5)Cl

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)C(CCO2)NC(=O)C(CC3CCCCC3)NC4=NC(=NC(=C4)N5C=CC=C5)Cl

InChI

InChI=1S/C27H29ClN6O2/c1-29-19-9-10-20-21(11-14-36-23(20)16-19)31-26(35)22(15-18-7-3-2-4-8-18)30-24-17-25(33-27(28)32-24)34-12-5-6-13-34/h5-6,9-10,12-13,16-18,21-22H,2-4,7-8,11,14-15H2,(H,31,35)(H,30,32,33)