FNM
(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dihydro-4H-imidazol-4-one
Created: | 2010-01-21 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 39 |
Chiral Atom Count | 1 |
Bond Count | 41 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | (5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dihydro-4H-imidazol-4-one |
Systematic Name (OpenEye OEToolkits) | (5S)-5-methyl-2-methylsulfanyl-5-phenyl-3-phenylazanyl-imidazol-4-one |
Formula | C17 H17 N3 O S |
Molecular Weight | 311.401 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.352 | CSC1=N[C](C)(C(=O)N1Nc2ccccc2)c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.7.0 | CC1(C(=O)N(C(=N1)SC)Nc2ccccc2)c3ccccc3 |
Canonical SMILES | CACTVS | 3.352 | CSC1=N[C@](C)(C(=O)N1Nc2ccccc2)c3ccccc3 |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | C[C@@]1(C(=O)N(C(=N1)SC)Nc2ccccc2)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1 |
InChIKey | InChI | 1.03 | LMVPQMGRYSRMIW-KRWDZBQOSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 10403199 |
ChEMBL | CHEMBL1232792 |
ChEBI | CHEBI:83258 |