878709-00-3
(2-METHYL-5,6,7,8-TETRAHYDRO-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC ACID
Name(2-METHYL-5,6,7,8-TETRAHYDRO-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC ACID
1Identification
【Name】
(2-METHYL-5,6,7,8-TETRAHYDRO-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC ACID
【CAS】
【MDL】
MFCD06255215
【English Synonyms】
【Formula】
C13 H15 N3 O2 S
【MolWeight】
277.346
【Inchi】
InChI=1S/C13H15N3O2S/c1-7-15-12(14-6-10(17)18)11-8-4-2-3-5-9(8)19-13(11)16-7/h2-6H2,1H3,(H,17,18)(H,14,15,16)
【InChIKey】
InChIKey=SCFBRDZXXMMWMT-UHFFFAOYSA-N
【SMILES】
Cc1nc(c2c3c(sc2n1)CCCC3)NCC(=O)O
【MOL File】
(2-METHYL-5,6,7,8-TE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2-METHYL-5,6,7,8-TETRAHYDRO-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC ACID.cml