647863-18-1
2-(ETHYLTHIO)-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE HYDROCHLORIDE
Name2-(ETHYLTHIO)-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE HYDROCHLORIDE
FormulaC9 H13 N3 S . Cl H
1Identification
【Name】
2-(ETHYLTHIO)-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE HYDROCHLORIDE
【CAS】
【MDL】
MFCD16658976
【English Synonyms】
【Formula】
C9 H13 N3 S . Cl H
【MolWeight】
231.75
【Inchi】
InChI=1S/C9H13N3S.ClH/c1-2-13-9-11-5-7-3-4-10-6-8(7)12-9;/h5,10H,2-4,6H2,1H3;1H
【InChIKey】
InChIKey=WQWDAUWXNLTTTD-UHFFFAOYSA-N
【SMILES】
CCSc1ncc2c(n1)CNCC2.Cl
【MOL File】
2-(ETHYLTHIO)-5,6,7,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(ETHYLTHIO)-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE HYDROCHLORIDE.cml