2-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-8-butyl-pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 2-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-8-butyl-pyrido[2,3-d]pyrimidin-7-one Openeye Name: 2-[4-bromo-3-(trifluoromethyl)anilino]-8-butyl-pyrido[2,3-d]pyrimidin-7-one CAS Name: 2-[4-bromo-3-(trifluoromethyl)anilino]-8-butyl-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-[4-bromo-3-(trifluoromethyl)anilino]-8-butylpyrido[2,3-d]pyrimidin-7-one Traditional Name: 2-[4-bromo-3-(trifluoromethyl)anilino]-8-butyl-pyrido[2,3-d]pyrimidin-7-one Formula: C18H16BrF3N4O MolecularWeight: 441.24505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC2=CN=C(N=C21)NC3=CC(=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

CCCCN1C(=O)C=CC2=CN=C(N=C21)NC3=CC(=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C18H16BrF3N4O/c1-2-3-8-26-15(27)7-4-11-10-23-17(25-16(11)26)24-12-5-6-14(19)13(9-12)18(20,21)22/h4-7,9-10H,2-3,8H2,1H3,(H,23,24,25)