N6-(2-azanyl-2-methyl-propyl)-N4-[5-(3-ethoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-5-fluoranyl-2-methyl-pyrimidine-4,6-diamine

Systemtic Name: N6-(2-azanyl-2-methyl-propyl)-N4-[5-(3-ethoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-5-fluoranyl-2-methyl-pyrimidine-4,6-diamine Openeye Name: N6-(2-amino-2-methyl-propyl)-N4-[5-(3-ethoxyphenyl)sulfonylthiazol-2-yl]-5-fluoro-2-methyl-pyrimidine-4,6-diamine CAS Name: N6-(2-amino-2-methylpropyl)-N4-[5-(3-ethoxyphenyl)sulfonyl-2-thiazolyl]-5-fluoro-2-methylpyrimidine-4,6-diamine IUPAC Name: 6-N-(2-amino-2-methylpropyl)-4-N-[5-(3-ethoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-5-fluoro-2-methylpyrimidine-4,6-diamine Traditional Name: (2-amino-2-methyl-propyl)-[5-fluoro-2-methyl-6-[(5-m-phenetylsulfonylthiazol-2-yl)amino]pyrimidin-4-yl]amine Formula: C20H25FN6O3S2 MolecularWeight: 480.579303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)S(=O)(=O)C2=CN=C(S2)NC3=C(C(=NC(=N3)C)NCC(C)(C)N)F

Isomeric SMILES

CCOC1=CC(=CC=C1)S(=O)(=O)C2=CN=C(S2)NC3=C(C(=NC(=N3)C)NCC(C)(C)N)F

InChI

InChI=1S/C20H25FN6O3S2/c1-5-30-13-7-6-8-14(9-13)32(28,29)15-10-23-19(31-15)27-18-16(21)17(25-12(2)26-18)24-11-20(3,4)22/h6-10H,5,11,22H2,1-4H3,(H2,23,24,25,26,27)