CHEBI:120704 - 3-methyl-4,7-bis(methylsulfonyl)-3a,5,6,7a-tetrahydro-1H-imidazo[4,5-b]pyrazin-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-methyl-4,7-bis(methylsulfonyl)-3a,5,6,7a-tetrahydro-1H-imidazo[4,5-b]pyrazin-2-one
ChEBI ID CHEBI:120704
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C8H16N4O5S2
Net Charge 0
Average Mass 312.369
Monoisotopic Mass 312.05621
InChI InChI=1S/C8H16N4O5S2/c1-10-7-6(9-8(10)13)11(18(2,14)15)4-5-12(7)19(3,16)17/h6-7H,4-5H2,1-3H3,(H,9,13)
InChIKey VKRZOWHFRCMNEJ-UHFFFAOYSA-N
SMILES CN1C2C(NC1=O)N(CCN2S(=O)(=O)C)S(=O)(=O)C
ChEBI Ontology
Outgoing 3-methyl-4,7-bis(methylsulfonyl)-3a,5,6,7a-tetrahydro-1H-imidazo[4,5-b]pyrazin-2-one (CHEBI:120704) is a imidazopyrazine (CHEBI:37847)
3-methyl-4,7-bis(methylsulfonyl)-3a,5,6,7a-tetrahydro-1H-imidazo[4,5-b]pyrazin-2-one (CHEBI:120704) is a sulfonamide (CHEBI:35358)
3-methyl-4,7-bis(methylsulfonyl)-3a,5,6,7a-tetrahydro-1H-imidazo[4,5-b]pyrazin-2-one (CHEBI:120704) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-32146 LINCS
View more database links
Last Modified
22 February 2018