135445-81-7
5H-1,2,4-TRIAZOLO(3,4-I)PURIN-5-ONE, 6,9-DIHYDRO-3-(2-CHLOROPHENYL)-9-METHYL-6-PROPYL-
Name5H-1,2,4-TRIAZOLO(3,4-I)PURIN-5-ONE, 6,9-DIHYDRO-3-(2-CHLOROPHENYL)-9-METHYL-6-PROPYL-
1Identification
【Name】
5H-1,2,4-TRIAZOLO(3,4-I)PURIN-5-ONE, 6,9-DIHYDRO-3-(2-CHLOROPHENYL)-9-METHYL-6-PROPYL-
【CAS】
【MDL】
MFCD01761137
【English Synonyms】
【Formula】
C16 H15 Cl N6 O
【MolWeight】
342.789
【Inchi】
InChI=1S/C16H15ClN6O/c1-3-8-22-14-12(21(2)9-18-14)15-20-19-13(23(15)16(22)24)10-6-4-5-7-11(10)17/h4-7,9H,3,8H2,1-2H3
【InChIKey】
InChIKey=SFSZOZRCNBNBGL-UHFFFAOYSA-N
【SMILES】
CCCn1c2c(c3nnc(n3c1=O)c4ccccc4Cl)n(cn2)C
【MOL File】
5H-1,2,4-TRIAZOLO(3,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5H-1,2,4-TRIAZOLO(3,4-I)PURIN-5-ONE, 6,9-DIHYDRO-3-(2-CHLOROPHENYL)-9-METHYL-6-PROPYL-.cml