N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-ethanoyl-benzamide

Systemtic Name: N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-ethanoyl-benzamide Openeye Name: 3-acetyl-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]benzamide CAS Name: 3-acetyl-N-[4-[[4-(dimethylamino)-2-pyrimidinyl]amino]cyclohexyl]benzamide IUPAC Name: 3-acetyl-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]benzamide Traditional Name: 3-acetyl-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]benzamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C(=O)NC2CCC(CC2)NC3=NC=CC(=N3)N(C)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C(=O)NC2CCC(CC2)NC3=NC=CC(=N3)N(C)C

InChI

InChI=1S/C21H27N5O2/c1-14(27)15-5-4-6-16(13-15)20(28)23-17-7-9-18(10-8-17)24-21-22-12-11-19(25-21)26(2)3/h4-6,11-13,17-18H,7-10H2,1-3H3,(H,23,28)(H,22,24,25)