1122907-61-2
1H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, 2,3,4,5-TETRAHYDRO-2,4-DIOXO-
Name1H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, 2,3,4,5-TETRAHYDRO-2,4-DIOXO-
1Identification
【Name】
1H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, 2,3,4,5-TETRAHYDRO-2,4-DIOXO-
【CAS】
【MDL】
MFCD17013879
【English Synonyms】
【Formula】
C7 H4 N4 O2
【MolWeight】
176.135
【Inchi】
InChI=1S/C7H4N4O2/c8-1-3-2-9-5-4(3)10-7(13)11-6(5)12/h2,9H,(H2,10,11,12,13)
【InChIKey】
InChIKey=YHWYNRJCQNBVST-UHFFFAOYSA-N
【SMILES】
c1c(c2c([nH]1)c(=O)[nH]c(=O)[nH]2)C#N
【MOL File】
1H-PYRROLO[3,2-D]PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, 2,3,4,5-TETRAHYDRO-2,4-DIOXO-.cml