CHEBI:123392 - 4-[[4-(dimethylamino)-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl]amino]butanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[[4-(dimethylamino)-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl]amino]butanoic acid
ChEBI ID CHEBI:123392
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H25N5O2S
Net Charge 0
Average Mass 375.490
Monoisotopic Mass 375.17290
InChI InChI=1S/C18H25N5O2S/c1-18(2)8-11(19-7-5-6-13(24)25)15-12(9-18)22-14-16(23(3)4)20-10-21-17(14)26-15/h10,19H,5-9H2,1-4H3,(H,24,25)
InChIKey WSFNMZBBWZWOCD-UHFFFAOYSA-N
SMILES CC1(CC(=C2C(=NC3=C(N=CN=C3S2)N(C)C)C1)NCCCC(=O)O)C
ChEBI Ontology
Outgoing 4-[[4-(dimethylamino)-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl]amino]butanoic acid (CHEBI:123392) has functional parent γ-amino acid (CHEBI:33707)
4-[[4-(dimethylamino)-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl]amino]butanoic acid (CHEBI:123392) is a organonitrogen compound (CHEBI:35352)
4-[[4-(dimethylamino)-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl]amino]butanoic acid (CHEBI:123392) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-34834 LINCS
View more database links