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

Systemtic Name: 2-[(2-azanyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-N-(6-chloranyl-3,4-dihydro-2H-chromen-4-yl)-2-cyclohexyl-ethanamide Openeye Name: 2-[(2-amino-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-N-(6-chlorochroman-4-yl)-2-cyclohexyl-acetamide CAS Name: 2-[[2-amino-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-(6-chloro-3,4-dihydro-2H-1-benzopyran-4-yl)-2-cyclohexylacetamide IUPAC Name: 2-[(2-amino-6-pyrrol-1-ylpyrimidin-4-yl)amino]-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-cyclohexylacetamide Traditional Name: 2-[(2-amino-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-N-(6-chlorochroman-4-yl)-2-cyclohexyl-acetamide Formula: C25H29ClN6O2 MolecularWeight: 480.98976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)NC2CCOC3=C2C=C(C=C3)Cl)NC4=NC(=NC(=C4)N5C=CC=C5)N

Isomeric SMILES

C1CCC(CC1)C(C(=O)NC2CCOC3=C2C=C(C=C3)Cl)NC4=NC(=NC(=C4)N5C=CC=C5)N

InChI

InChI=1S/C25H29ClN6O2/c26-17-8-9-20-18(14-17)19(10-13-34-20)28-24(33)23(16-6-2-1-3-7-16)29-21-15-22(31-25(27)30-21)32-11-4-5-12-32/h4-5,8-9,11-12,14-16,19,23H,1-3,6-7,10,13H2,(H,28,33)(H3,27,29,30,31)