5-methyl-2-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]amino]-8-propan-2-yl-7H-pteridin-6-one

Systemtic Name: 5-methyl-2-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]amino]-8-propan-2-yl-7H-pteridin-6-one Openeye Name: 8-isopropyl-5-methyl-2-[3-methylsulfonyl-5-(trifluoromethyl)anilino]-7H-pteridin-6-one CAS Name: 5-methyl-2-[3-methylsulfonyl-5-(trifluoromethyl)anilino]-8-propan-2-yl-7H-pteridin-6-one IUPAC Name: 5-methyl-2-[3-methylsulfonyl-5-(trifluoromethyl)anilino]-8-propan-2-yl-7H-pteridin-6-one Traditional Name: 8-isopropyl-2-[3-mesyl-5-(trifluoromethyl)anilino]-5-methyl-7H-pteridin-6-one Formula: C18H20F3N5O3S MolecularWeight: 443.44331

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(=O)N(C2=CN=C(N=C21)NC3=CC(=CC(=C3)C(F)(F)F)S(=O)(=O)C)C

Isomeric SMILES

CC(C)N1CC(=O)N(C2=CN=C(N=C21)NC3=CC(=CC(=C3)C(F)(F)F)S(=O)(=O)C)C

InChI

InChI=1S/C18H20F3N5O3S/c1-10(2)26-9-15(27)25(3)14-8-22-17(24-16(14)26)23-12-5-11(18(19,20)21)6-13(7-12)30(4,28)29/h5-8,10H,9H2,1-4H3,(H,22,23,24)