H55

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Summary

Name:3,5-diamino-N-carbamimidoyl-6-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide
Formula:C10 H13 N9 O
Formal charge:0
Molecular weight:275.27 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013,5-diamino-N-carbamimidoyl-6-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide
OpenEye OEToolkits2.0.63,5-bis(azanyl)-~{N}-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N/C(N)=N)c1c(N)nc(N)c(n1)c2cn(nc2)C
InChIInChI1.03InChI=1S/C10H13N9O/c1-19-3-4(2-15-19)5-7(11)17-8(12)6(16-5)9(20)18-10(13)14/h2-3H,1H3,(H4,11,12,17)(H4,13,14,18,20)
InChIKeyInChI1.03MHKIPNGQRFWGIB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1cc(cn1)c2nc(c(N)nc2N)C(=O)NC(N)=N
SMILESCACTVS3.385Cn1cc(cn1)c2nc(c(N)nc2N)C(=O)NC(N)=N
SMILES_CANONICALOpenEye OEToolkits2.0.6[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N)N
SMILESOpenEye OEToolkits2.0.6Cn1cc(cn1)c2c(nc(c(n2)C(=O)NC(=N)N)N)N