(5R)-5-(1-adamantyliminomethyl)-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5R)-5-(1-adamantyliminomethyl)-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-5-(1-adamantyliminomethyl)-1-(4-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-5-(1-adamantyliminomethyl)-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-5-(1-adamantyliminomethyl)-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-5-(1-adamantyliminomethyl)-1-(4-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N=CC4C(=O)NC(=S)N(C4=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N=C[C@@H]4C(=O)NC(=S)N(C4=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C21H22FN3O2S/c22-15-1-3-16(4-2-15)25-19(27)17(18(26)24-20(25)28)11-23-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14,17H,5-10H2,(H,24,26,28)/t12?,13?,14?,17-,21?/m1/s1