537002-58-7
ETHYL 5-METHYL-7-(2-THIENYL)-4,7-DIHYDROTETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
NameETHYL 5-METHYL-7-(2-THIENYL)-4,7-DIHYDROTETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
pro_formulaC12 H13 N5 O2 S
1Identification
【Name】
ETHYL 5-METHYL-7-(2-THIENYL)-4,7-DIHYDROTETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
【CAS】
【MDL】
MFCD09752998
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H13 N5 O2 S
【pro_molWeight】
291.334
【Inchi】
InChI=1S/C12H13N5O2S/c1-3-19-11(18)9-7(2)13-12-14-15-16-17(12)10(9)8-5-4-6-20-8/h4-6,10H,3H2,1-2H3,(H,13,14,16)
【InChIKey】
InChIKey=DRQCLJBNKSJIEY-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1=C(N=C2N=NNN2C1c3cccs3)C
【MOL File】
ETHYL 5-METHYL-7-(2-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 5-METHYL-7-(2-THIENYL)-4,7-DIHYDROTETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE.cml