7-(1-adamantyl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 7-(1-adamantyl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one Openeye Name: 7-(1-adamantyl)-1-isopropyl-2-thioxo-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one CAS Name: 7-(1-adamantyl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)-4-pyrido[2,3-d]pyrimidinone IUPAC Name: 7-(1-adamantyl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one Traditional Name: 7-(1-adamantyl)-1-isopropyl-2-thioxo-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one Formula: C21H24F3N3OS MolecularWeight: 423.49497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=CC(=N2)C34CC5CC(C3)CC(C5)C4)C(F)(F)F)C(=O)NC1=S

Isomeric SMILES

CC(C)N1C2=C(C(=CC(=N2)C34CC5CC(C3)CC(C5)C4)C(F)(F)F)C(=O)NC1=S

InChI

InChI=1S/C21H24F3N3OS/c1-10(2)27-17-16(18(28)26-19(27)29)14(21(22,23)24)6-15(25-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h6,10-13H,3-5,7-9H2,1-2H3,(H,26,28,29)