4-[[4-(3-azanylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-(3-azanylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-(3-aminopyrrolidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-(3-amino-1-pyrrolidinyl)-5-(trifluoromethyl)-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[4-(3-aminopyrrolidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-(3-aminopyrrolidino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide Formula: C16H17F3N6O MolecularWeight: 366.34099

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)C2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1CN(CC1N)C2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C16H17F3N6O/c17-16(18,19)12-7-22-15(24-14(12)25-6-5-10(20)8-25)23-11-3-1-9(2-4-11)13(21)26/h1-4,7,10H,5-6,8,20H2,(H2,21,26)(H,22,23,24)