CHEBI:108090 - 3-[4-(dimethylamino)phenyl]-1-[1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-[(1,3,5-trimethyl-4-pyrazolyl)methyl]thiourea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[4-(dimethylamino)phenyl]-1-[1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-[(1,3,5-trimethyl-4-pyrazolyl)methyl]thiourea
ChEBI ID CHEBI:108090
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H32N6O2S
Net Charge 0
Average Mass 504.649
Monoisotopic Mass 504.23075
InChI InChI=1S/C27H32N6O2S/c1-17-8-7-9-22(14-17)33-25(34)15-24(26(33)35)32(16-23-18(2)29-31(6)19(23)3)27(36)28-20-10-12-21(13-11-20)30(4)5/h7-14,24H,15-16H2,1-6H3,(H,28,36)
InChIKey AGNCTQYSKRYEFE-UHFFFAOYSA-N
SMILES CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N(CC3=C(N(N=C3C)C)C)C(=S)NC4=CC=C(C=C4)N(C)C
ChEBI Ontology
Outgoing 3-[4-(dimethylamino)phenyl]-1-[1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-[(1,3,5-trimethyl-4-pyrazolyl)methyl]thiourea (CHEBI:108090) is a pyrrolidines (CHEBI:38260)
Manual Xref Database
LSM-19467 LINCS
View more database links