6-azanyl-2-[1-[3-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidine-4-carbonitrile

Systemtic Name: 6-azanyl-2-[1-[3-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidine-4-carbonitrile Openeye Name: 6-amino-2-[1-[3-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidine-4-carbonitrile CAS Name: 6-amino-2-[1-[3-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]ethylthio]-4-pyrimidinecarbonitrile IUPAC Name: 6-amino-2-[1-[3-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidine-4-carbonitrile Traditional Name: 6-amino-2-[1-[3-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]ethylthio]pyrimidine-4-carbonitrile Formula: C15H11F3N6S MolecularWeight: 364.34825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C(=CN2)C(F)(F)F)SC3=NC(=CC(=N3)N)C#N

Isomeric SMILES

CC(C1=NC=C2C(=C1)C(=CN2)C(F)(F)F)SC3=NC(=CC(=N3)N)C#N

InChI

InChI=1S/C15H11F3N6S/c1-7(25-14-23-8(4-19)2-13(20)24-14)11-3-9-10(15(16,17)18)5-21-12(9)6-22-11/h2-3,5-7,21H,1H3,(H2,20,23,24)