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

Systemtic Name: 7-(1-adamantyl)-1-prop-2-enyl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one Openeye Name: 7-(1-adamantyl)-1-allyl-2-thioxo-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one CAS Name: 7-(1-adamantyl)-1-prop-2-enyl-2-sulfanylidene-5-(trifluoromethyl)-4-pyrido[2,3-d]pyrimidinone IUPAC Name: 7-(1-adamantyl)-1-prop-2-enyl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one Traditional Name: 7-(1-adamantyl)-1-allyl-2-thioxo-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one Formula: C21H22F3N3OS MolecularWeight: 421.47909

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=CC(=N2)C34CC5CC(C3)CC(C5)C4)C(F)(F)F)C(=O)NC1=S

Isomeric SMILES

C=CCN1C2=C(C(=CC(=N2)C34CC5CC(C3)CC(C5)C4)C(F)(F)F)C(=O)NC1=S

InChI

InChI=1S/C21H22F3N3OS/c1-2-3-27-17-16(18(28)26-19(27)29)14(21(22,23)24)7-15(25-17)20-8-11-4-12(9-20)6-13(5-11)10-20/h2,7,11-13H,1,3-6,8-10H2,(H,26,28,29)