65749-90-8
4,5-DIHYDRO-2-METHYL-4-THIOXO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE
Name4,5-DIHYDRO-2-METHYL-4-THIOXO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE
1Identification
【Name】
4,5-DIHYDRO-2-METHYL-4-THIOXO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE
【CAS】
【MDL】
MFCD17018630
【English Synonyms】
【Formula】
C8 H6 N4 S
【MolWeight】
190.229
【Inchi】
InChI=1S/C8H6N4S/c1-4-11-6-5(2-9)3-10-7(6)8(13)12-4/h3,10H,1H3,(H,11,12,13)
【InChIKey】
InChIKey=PONRKNFBPHEYJG-UHFFFAOYSA-N
【SMILES】
Cc1[nH]c(=S)c2c(n1)c(c[nH]2)C#N
【MOL File】
4,5-DIHYDRO-2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,5-DIHYDRO-2-METHYL-4-THIOXO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE.cml