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Summary

Name:methyl (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoate
Formula:C11 H13 N5 O4
Formal charge:0
Molecular weight:279.252 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoate
OpenEye OEToolkits1.7.6methyl (3R)-3-[7-azanyl-4,5-bis(oxidanylidene)-1,6-dihydropyrimido[4,5-c]pyridazin-3-yl]butanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC)CC(C1=NNC=2N=C(NC(=O)C=2C1=O)N)C
InChIInChI1.03InChI=1S/C11H13N5O4/c1-4(3-5(17)20-2)7-8(18)6-9(16-15-7)13-11(12)14-10(6)19/h4H,3H2,1-2H3,(H4,12,13,14,16,18,19)/t4-/m1/s1
InChIKeyInChI1.03JEWNFTGWEYCQGA-SCSAIBSYSA-N
SMILES_CANONICALCACTVS3.370COC(=O)C[C@@H](C)C1=NNC2=C(C(=O)NC(=N2)N)C1=O
SMILESCACTVS3.370COC(=O)C[CH](C)C1=NNC2=C(C(=O)NC(=N2)N)C1=O
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@H](CC(=O)OC)C1=NNC2=C(C1=O)C(=O)NC(=N2)N
SMILESOpenEye OEToolkits1.7.6CC(CC(=O)OC)C1=NNC2=C(C1=O)C(=O)NC(=N2)N