5-fluoranyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(2-methyl-3-propan-2-yl-imidazol-4-yl)pyrimidin-2-amine hydrochloride

Systemtic Name: 5-fluoranyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(2-methyl-3-propan-2-yl-imidazol-4-yl)pyrimidin-2-amine hydrochloride Openeye Name: 5-fluoro-4-(3-isopropyl-2-methyl-imidazol-4-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-2-amine hydrochloride CAS Name: 5-fluoro-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-4-(2-methyl-3-propan-2-yl-4-imidazolyl)-2-pyrimidinamine hydrochloride IUPAC Name: 5-fluoro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine hydrochloride Traditional Name: [5-fluoro-4-(3-isopropyl-2-methyl-imidazol-4-yl)pyrimidin-2-yl]-[4-(4-methylpiperazino)sulfonylphenyl]amine hydrochloride Formula: C22H29ClFN7O2S MolecularWeight: 510.027763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1C(C)C)C2=NC(=NC=C2F)NC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C.Cl

Isomeric SMILES

CC1=NC=C(N1C(C)C)C2=NC(=NC=C2F)NC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C.Cl

InChI

InChI=1S/C22H28FN7O2S.ClH/c1-15(2)30-16(3)24-14-20(30)21-19(23)13-25-22(27-21)26-17-5-7-18(8-6-17)33(31,32)29-11-9-28(4)10-12-29;/h5-8,13-15H,9-12H2,1-4H3,(H,25,26,27);1H