E0S

2-amino-5-oxo-7-(propan-2-yl)-N-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxamide

Created:2017-11-20
Last modified:  2018-09-26

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count45
Aromatic Bond Count17
2D diagram of E0S

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Chemical Component Summary

Name2-amino-5-oxo-7-(propan-2-yl)-N-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)2-azanyl-5-oxidanylidene-7-propan-2-yl-~{N}-(1~{H}-1,2,3,4-tetrazol-5-yl)chromeno[2,3-b]pyridine-3-carboxamide
FormulaC17 H15 N7 O3
Molecular Weight365.346
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C)c4ccc1c(C(c2c(O1)nc(c(c2)C(Nc3nnnn3)=O)N)=O)c4
SMILESCACTVS3.385CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(=O)Nc4[nH]nnn4
SMILESOpenEye OEToolkits2.0.6CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)Nc4[nH]nnn4
Canonical SMILESCACTVS3.385 CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(=O)Nc4[nH]nnn4
Canonical SMILESOpenEye OEToolkits2.0.6 CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)Nc4[nH]nnn4
InChIInChI1.03 InChI=1S/C17H15N7O3/c1-7(2)8-3-4-12-9(5-8)13(25)10-6-11(14(18)19-16(10)27-12)15(26)20-17-21-23-24-22-17/h3-7H,1-2H3,(H2,18,19)(H2,20,21,22,23,24,26)
InChIKeyInChI1.03 JDIHMNISRGRMDY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 130296329