5-[bis(fluoranyl)methyl]-1-butyl-7-phenyl-2-sulfanylidene-pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 5-[bis(fluoranyl)methyl]-1-butyl-7-phenyl-2-sulfanylidene-pyrido[2,3-d]pyrimidin-4-one Openeye Name: 1-butyl-5-(difluoromethyl)-7-phenyl-2-thioxo-pyrido[2,3-d]pyrimidin-4-one CAS Name: 1-butyl-5-(difluoromethyl)-7-phenyl-2-sulfanylidene-4-pyrido[2,3-d]pyrimidinone IUPAC Name: 1-butyl-5-(difluoromethyl)-7-phenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one Traditional Name: 1-butyl-5-(difluoromethyl)-7-phenyl-2-thioxo-pyrido[2,3-d]pyrimidin-4-one Formula: C18H17F2N3OS MolecularWeight: 361.408886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)F)C(=O)NC1=S

Isomeric SMILES

CCCCN1C2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)F)C(=O)NC1=S

InChI

InChI=1S/C18H17F2N3OS/c1-2-3-9-23-16-14(17(24)22-18(23)25)12(15(19)20)10-13(21-16)11-7-5-4-6-8-11/h4-8,10,15H,2-3,9H2,1H3,(H,22,24,25)