1-quinazolin-8-yl-3-[1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea

Systemtic Name: 1-quinazolin-8-yl-3-[1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea Openeye Name: 1-quinazolin-8-yl-3-[1-[5-(trifluoromethyl)-2-pyridyl]pyrrolidin-3-yl]urea CAS Name: 1-(8-quinazolinyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinyl]urea IUPAC Name: 1-quinazolin-8-yl-3-[1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea Traditional Name: 1-quinazolin-8-yl-3-[1-[5-(trifluoromethyl)-2-pyridyl]pyrrolidin-3-yl]urea Formula: C19H17F3N6O MolecularWeight: 402.37309

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)NC2=CC=CC3=CN=CN=C32)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC1NC(=O)NC2=CC=CC3=CN=CN=C32)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H17F3N6O/c20-19(21,22)13-4-5-16(24-9-13)28-7-6-14(10-28)26-18(29)27-15-3-1-2-12-8-23-11-25-17(12)15/h1-5,8-9,11,14H,6-7,10H2,(H2,26,27,29)