885461-05-2
METHYL 7-ISOPROPYL-2-MERCAPTO-4-OXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-5-CARBOXYLATE
NameMETHYL 7-ISOPROPYL-2-MERCAPTO-4-OXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-5-CARBOXYLATE
1Identification
【Name】
METHYL 7-ISOPROPYL-2-MERCAPTO-4-OXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD06660781
【English Synonyms】
【Formula】
C12 H13 N3 O3 S
【MolWeight】
279.319
【Inchi】
InChI=1S/C12H13N3O3S/c1-5(2)7-4-6(11(17)18-3)8-9(13-7)14-12(19)15-10(8)16/h4-5H,1-3H3,(H2,13,14,15,16,19)
【InChIKey】
InChIKey=RLLRZOIBJIJTOL-UHFFFAOYSA-N
【SMILES】
CC(C)c1cc(c2c(=O)[nH]c(nc2n1)S)C(=O)OC
【MOL File】
METHYL 7-ISOPROPYL-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 7-ISOPROPYL-2-MERCAPTO-4-OXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-5-CARBOXYLATE.cml