63811-40-5
1-(4-OXO-6-HYDROXY-2-THIOXO-2,3,4,5-TETRAHYDRO-PYRIMIDO-5-YLIDEN)-5-(4,6-DIOXO-2-THIOXO-HEXAHYDRO-PYRIMIDO-5-YL)-PENTADIENE-2,4
Name1-(4-OXO-6-HYDROXY-2-THIOXO-2,3,4,5-TETRAHYDRO-PYRIMIDO-5-YLIDEN)-5-(4,6-DIOXO-2-THIOXO-HEXAHYDRO-PYRIMIDO-5-YL)-PENTADIENE-2,4
1Identification
【Name】
1-(4-OXO-6-HYDROXY-2-THIOXO-2,3,4,5-TETRAHYDRO-PYRIMIDO-5-YLIDEN)-5-(4,6-DIOXO-2-THIOXO-HEXAHYDRO-PYRIMIDO-5-YL)-PENTADIENE-2,4
【CAS】
【MDL】
MFCD00142558
【English Synonyms】
【Formula】
C13 H10 N4 O4 S2
【MolWeight】
350.378
【Inchi】
InChI=1S/C13H10N4O4S2/c18-8-6(9(19)15-12(22)14-8)4-2-1-3-5-7-10(20)16-13(23)17-11(7)21/h1-6H,(H2,14,15,18,19,22)(H2,16,17,20,21,23)/b3-1+,4-2+
【InChIKey】
InChIKey=LFYHUCUXVULCOB-ZPUQHVIOSA-N
【SMILES】
C(=C/C=C\1/C(=O)NC(=S)N=C1O)\C=C\C2C(=O)NC(=S)NC2=O
【MOL File】
1-(4-OXO-6-HYDROXY-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-OXO-6-HYDROXY-2-THIOXO-2,3,4,5-TETRAHYDRO-PYRIMIDO-5-YLIDEN)-5-(4,6-DIOXO-2-THIOXO-HEXAHYDRO-PYRIMIDO-5-YL)-PENTADIENE-2,4.cml