571189-20-3
8-CYCLOPENTYL-6-IODO-5-METHYL-2-(METHYLSULFINYL)-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE
Name8-CYCLOPENTYL-6-IODO-5-METHYL-2-(METHYLSULFINYL)-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE
1Identification
【Name】
8-CYCLOPENTYL-6-IODO-5-METHYL-2-(METHYLSULFINYL)-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE
【CAS】
【MDL】
MFCD19980629
【English Synonyms】
【Formula】
C14 H16 I N3 O2 S
【MolWeight】
417.265
【Inchi】
InChI=1S/C14H16IN3O2S/c1-8-10-7-16-14(21(2)20)17-12(10)18(13(19)11(8)15)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3
【InChIKey】
InChIKey=QAVDRJIMKNLUJO-UHFFFAOYSA-N
【SMILES】
Cc1c2cnc(nc2n(c(=O)c1I)C3CCCC3)S(=O)C
【MOL File】
8-CYCLOPENTYL-6-IODO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-CYCLOPENTYL-6-IODO-5-METHYL-2-(METHYLSULFINYL)-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE.cml