E0M

2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one

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

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count41
Aromatic Bond Count17
2D diagram of E0M

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Chemical Component Summary

Name2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one
Systematic Name (OpenEye OEToolkits)2-azanyl-7-propan-2-yl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one
FormulaC16 H14 N6 O2
Molecular Weight322.321
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C)c4ccc1c(C(c2c(O1)nc(c(c2)c3nnnn3)N)=O)c4
SMILESCACTVS3.385CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)c4[nH]nnn4
SMILESOpenEye OEToolkits2.0.6CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)c4[nH]nnn4
Canonical SMILESCACTVS3.385 CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)c4[nH]nnn4
Canonical SMILESOpenEye OEToolkits2.0.6 CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)c4[nH]nnn4
InChIInChI1.03 InChI=1S/C16H14N6O2/c1-7(2)8-3-4-12-9(5-8)13(23)10-6-11(15-19-21-22-20-15)14(17)18-16(10)24-12/h3-7H,1-2H3,(H2,17,18)(H,19,20,21,22)
InChIKeyInChI1.03 YHCFWEQYIPEHCK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 15571843
ChEMBL CHEMBL153809