731816-85-6
5-(3,4-DIMETHOXYPHENYL)-2-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Name5-(3,4-DIMETHOXYPHENYL)-2-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
1Identification
【Name】
5-(3,4-DIMETHOXYPHENYL)-2-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD04628043
【English Synonyms】
【Formula】
C15 H14 N2 O3 S
【MolWeight】
302.353
【Inchi】
InChI=1S/C15H14N2O3S/c1-8-16-14(18)13-10(7-21-15(13)17-8)9-4-5-11(19-2)12(6-9)20-3/h4-7H,1-3H3,(H,16,17,18)
【InChIKey】
InChIKey=FOXUMRCUZSOQHZ-UHFFFAOYSA-N
【SMILES】
Cc1[nH]c(=O)c2c(csc2n1)c3ccc(c(c3)OC)OC
【MOL File】
5-(3,4-DIMETHOXYPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(3,4-DIMETHOXYPHENYL)-2-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE.cml