2-[1-[3-(aminomethyl)-1-methyl-pyrrolo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine

Systemtic Name: 2-[1-[3-(aminomethyl)-1-methyl-pyrrolo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine Openeye Name: 2-[1-[3-(aminomethyl)-1-methyl-pyrrolo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine CAS Name: 2-[1-[3-(aminomethyl)-1-methyl-5-pyrrolo[2,3-c]pyridinyl]ethylthio]-6-(trifluoromethyl)-4-pyrimidinamine IUPAC Name: 2-[1-[3-(aminomethyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine Traditional Name: [2-[1-[3-(aminomethyl)-1-methyl-pyrrolo[2,3-c]pyridin-5-yl]ethylthio]-6-(trifluoromethyl)pyrimidin-4-yl]amine Formula: C16H17F3N6S MolecularWeight: 382.40659

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C(=CN2C)CN)SC3=NC(=CC(=N3)N)C(F)(F)F

Isomeric SMILES

CC(C1=NC=C2C(=C1)C(=CN2C)CN)SC3=NC(=CC(=N3)N)C(F)(F)F

InChI

InChI=1S/C16H17F3N6S/c1-8(26-15-23-13(16(17,18)19)4-14(21)24-15)11-3-10-9(5-20)7-25(2)12(10)6-22-11/h3-4,6-8H,5,20H2,1-2H3,(H2,21,23,24)