N-ethyl-3-[[4-[[5-(hydroxymethyl)-2-methyl-phenyl]-methyl-amino]pyrimidin-2-yl]amino]-N-methyl-5-morpholin-4-yl-benzamide

Systemtic Name: N-ethyl-3-[[4-[[5-(hydroxymethyl)-2-methyl-phenyl]-methyl-amino]pyrimidin-2-yl]amino]-N-methyl-5-morpholin-4-yl-benzamide Openeye Name: N-ethyl-3-[[4-[5-(hydroxymethyl)-N,2-dimethyl-anilino]pyrimidin-2-yl]amino]-N-methyl-5-morpholino-benzamide CAS Name: N-ethyl-3-[[4-[5-(hydroxymethyl)-N,2-dimethylanilino]-2-pyrimidinyl]amino]-N-methyl-5-(4-morpholinyl)benzamide IUPAC Name: N-ethyl-3-[[4-[5-(hydroxymethyl)-N,2-dimethylanilino]pyrimidin-2-yl]amino]-N-methyl-5-morpholin-4-ylbenzamide Traditional Name: 3-[[4-(N,2-dimethyl-5-methylol-anilino)pyrimidin-2-yl]amino]-N-ethyl-N-methyl-5-morpholino-benzamide Formula: C27H34N6O3 MolecularWeight: 490.59726

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)C1=CC(=CC(=C1)NC2=NC=CC(=N2)N(C)C3=C(C=CC(=C3)CO)C)N4CCOCC4

Isomeric SMILES

CCN(C)C(=O)C1=CC(=CC(=C1)NC2=NC=CC(=N2)N(C)C3=C(C=CC(=C3)CO)C)N4CCOCC4

InChI

InChI=1S/C27H34N6O3/c1-5-31(3)26(35)21-15-22(17-23(16-21)33-10-12-36-13-11-33)29-27-28-9-8-25(30-27)32(4)24-14-20(18-34)7-6-19(24)2/h6-9,14-17,34H,5,10-13,18H2,1-4H3,(H,28,29,30)