94523-37-2
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-(BIS(2-HYDROXYETHYL)AMINO)-1,3,7-TR IMETHYL-
Name
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-(BIS(2-HYDROXYETHYL)AMINO)-1,3,7-TR IMETHYL-
Formula
C12 H19 N5 O4
MolWeight
297.313
1Identification
【Name】
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-(BIS(2-HYDROXYETHYL)AMINO)-1,3,7-TR IMETHYL-
【CAS】
【MDL】
MFCD01694384
【English Synonyms】
【Formula】
C12 H19 N5 O4
【MolWeight】
297.313
【Inchi】
InChI=1S/C12H19N5O4/c1-14-8-9(15(2)12(21)16(3)10(8)20)13-11(14)17(4-6-18)5-7-19/h18-19H,4-7H2,1-3H3
【InChIKey】
InChIKey=MDBADRPVSIUQBL-UHFFFAOYSA-N
【SMILES】
Cn1c2c(nc1N(CCO)CCO)n(c(=O)n(c2=O)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F