EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:92120 - 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

ChEBI IDCHEBI:92120
ChEBI Name1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Stars
DownloadsMolfile
FormulaC19H26N4O3S
Net Charge0
Average Mass390.509
Monoisotopic Mass390.17256
SMILESCCCN1CNc2c(c(=O)nc(=S)n2CCc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C19H26N4O3S/c1-4-8-22-11-14-17(20-12-22)23(19(27)21-18(14)24)9-7-13-5-6-15(25-2)16(10-13)26-3/h5-6,10,20H,4,7-9,11-12H2,1-3H3,(H,21,24,27)
InChIKeyDNWDRRNPHSEMMW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one (CHEBI:92120) is a dimethoxybenzene (CHEBI:51681)
Manual XrefsDatabases
LSM-2122LINCS