3-chloranyl-N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]-4-methyl-benzamide

Systemtic Name: 3-chloranyl-N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[4-[[6-(dimethylamino)-2-methyl-4-pyrimidinyl]amino]cyclohexyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]-4-methyl-benzamide Formula: C21H28ClN5O MolecularWeight: 401.93292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CCC(CC2)NC3=CC(=NC(=N3)C)N(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CCC(CC2)NC3=CC(=NC(=N3)C)N(C)C)Cl

InChI

InChI=1S/C21H28ClN5O/c1-13-5-6-15(11-18(13)22)21(28)26-17-9-7-16(8-10-17)25-19-12-20(27(3)4)24-14(2)23-19/h5-6,11-12,16-17H,7-10H2,1-4H3,(H,26,28)(H,23,24,25)