3-chloranyl-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-4-isopropylsulfonyl-5-methylsulfanyl-thiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[[4-(dimethylamino)-2-pyrimidinyl]amino]cyclohexyl]-5-(methylthio)-4-propan-2-ylsulfonyl-2-thiophenecarboxamide IUPAC Name: 3-chloro-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-4-isopropylsulfonyl-5-(methylthio)thiophene-2-carboxamide Formula: C21H30ClN5O3S3 MolecularWeight: 532.1426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(SC(=C1Cl)C(=O)NC2CCC(CC2)NC3=NC=CC(=N3)N(C)C)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(SC(=C1Cl)C(=O)NC2CCC(CC2)NC3=NC=CC(=N3)N(C)C)SC

InChI

InChI=1S/C21H30ClN5O3S3/c1-12(2)33(29,30)18-16(22)17(32-20(18)31-5)19(28)24-13-6-8-14(9-7-13)25-21-23-11-10-15(26-21)27(3)4/h10-14H,6-9H2,1-5H3,(H,24,28)(H,23,25,26)