851071-22-2
6H-PURIN-6-ONE, 2-AMINO-1,4,5,9-TETRAHYDRO-, 7-OXIDE
Name6H-PURIN-6-ONE, 2-AMINO-1,4,5,9-TETRAHYDRO-, 7-OXIDE
1Identification
【Name】
6H-PURIN-6-ONE, 2-AMINO-1,4,5,9-TETRAHYDRO-, 7-OXIDE
【CAS】
【MDL】
MFCD16877953
【English Synonyms】
【Formula】
C5 H7 N5 O2
【MolWeight】
169.143
【Inchi】
InChI=1S/C5H7N5O2/c6-5-8-3-2(4(11)9-5)10(12)1-7-3/h1-3,7H,(H3,6,8,9,11)
【InChIKey】
InChIKey=PJQJQCDGRCCSKY-UHFFFAOYSA-N
【SMILES】
C1=[N+](C2C(N1)N=C(NC2=O)N)[O-]
【MOL File】
6H-PURIN-6-ONE, 2-AM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6H-PURIN-6-ONE, 2-AMINO-1,4,5,9-TETRAHYDRO-, 7-OXIDE.cml