885524-05-0
METHYL 2-MERCAPTO-7-METHYL-4-OXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-5-CARBOXYLATE
NameMETHYL 2-MERCAPTO-7-METHYL-4-OXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-5-CARBOXYLATE
1Identification
【Name】
METHYL 2-MERCAPTO-7-METHYL-4-OXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD06660829
【English Synonyms】
【Formula】
C10 H9 N3 O3 S
【MolWeight】
251.265
【Inchi】
InChI=1S/C10H9N3O3S/c1-4-3-5(9(15)16-2)6-7(11-4)12-10(17)13-8(6)14/h3H,1-2H3,(H2,11,12,13,14,17)
【InChIKey】
InChIKey=RRZACLOGHOJTKS-UHFFFAOYSA-N
【SMILES】
Cc1cc(c2c(=O)[nH]c(nc2n1)S)C(=O)OC
【MOL File】
METHYL 2-MERCAPTO-7-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 2-MERCAPTO-7-METHYL-4-OXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-5-CARBOXYLATE.cml