1033852-66-2
ISOPROPYL 4-(1-METHYL-7-OXO-3-PROPYL-6,7-DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)THIOPHEN-2-YLSULFONYLCARBAMATE
NameISOPROPYL 4-(1-METHYL-7-OXO-3-PROPYL-6,7-DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)THIOPHEN-2-YLSULFONYLCARBAMATE
1Identification
【Name】
ISOPROPYL 4-(1-METHYL-7-OXO-3-PROPYL-6,7-DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)THIOPHEN-2-YLSULFONYLCARBAMATE
【CAS】
【MDL】
MFCD17013610
【English Synonyms】
【Formula】
C17 H21 N5 O5 S2
【MolWeight】
439.515
【Inchi】
InChI=1S/C17H21N5O5S2/c1-5-6-11-13-14(22(4)20-11)16(23)19-15(18-13)10-7-12(28-8-10)29(25,26)21-17(24)27-9(2)3/h7-9H,5-6H2,1-4H3,(H,21,24)(H,18,19,23)
【InChIKey】
InChIKey=CFAWPSNYQNHAST-UHFFFAOYSA-N
【SMILES】
CCCc1c2c(c(=O)[nH]c(n2)c3cc(sc3)S(=O)(=O)NC(=O)OC(C)C)n(n1)C
【MOL File】
ISOPROPYL 4-(1-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:10
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ISOPROPYL 4-(1-METHYL-7-OXO-3-PROPYL-6,7-DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)THIOPHEN-2-YLSULFONYLCARBAMATE.cml