473998-14-0
3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, 6-ETHYL-4,5-DIHYDRO-4-OXO-
Name3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, 6-ETHYL-4,5-DIHYDRO-4-OXO-
1Identification
【Name】
3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, 6-ETHYL-4,5-DIHYDRO-4-OXO-
【CAS】
【MDL】
MFCD17013902
【English Synonyms】
【Formula】
C9 H8 N4 O
【MolWeight】
188.189
【Inchi】
InChI=1S/C9H8N4O/c1-2-6-5(3-10)7-8(13-6)9(14)12-4-11-7/h4,13H,2H2,1H3,(H,11,12,14)
【InChIKey】
InChIKey=JVUUBFCERXHEQS-UHFFFAOYSA-N
【SMILES】
CCc1c(c2c([nH]1)c(=O)[nH]cn2)C#N
【MOL File】
3H-PYRROLO[3,2-D]PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, 6-ETHYL-4,5-DIHYDRO-4-OXO-.cml