CHEBI:106026 - 3,4-dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,4-dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester
ChEBI ID CHEBI:106026
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H20N2O2S
Net Charge 0
Average Mass 304.409
Monoisotopic Mass 304.12455
InChI InChI=1S/C16H20N2O2S/c1-10(2)20-15(19)13-11(3)18(4)16(21)17-14(13)12-8-6-5-7-9-12/h5-10,14H,1-4H3,(H,17,21)
InChIKey RLSOWXJJZQEWFN-UHFFFAOYSA-N
SMILES CC1=C(C(NC(=S)N1C)C2=CC=CC=C2)C(=O)OC(C)C
ChEBI Ontology
Outgoing 3,4-dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester (CHEBI:106026) is a isopropyl ester (CHEBI:35725)
3,4-dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester (CHEBI:106026) is a pyrimidinethione (CHEBI:48546)
Manual Xref Database
LSM-17387 LINCS
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Last Modified
09 March 2018