B2L

4-(1H,3H-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine

Created: 2011-08-02
Last modified:  2011-08-02

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count39
Aromatic Bond Count17
2D diagram of B2L

Chemical Component Summary

Name4-(1H,3H-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine
Systematic Name (OpenEye OEToolkits)n/a
FormulaC17 H15 N3 O
Molecular Weight277.321
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01n1c(cc(nc1N)c2ccc4c3c2cccc3COC4)C
SMILESCACTVS3.370Cc1cc(nc(N)n1)c2ccc3COCc4cccc2c34
SMILESOpenEye OEToolkits1.7.2Cc1cc(nc(n1)N)c2ccc3c4c2cccc4COC3
Canonical SMILESCACTVS3.370 Cc1cc(nc(N)n1)c2ccc3COCc4cccc2c34
Canonical SMILESOpenEye OEToolkits1.7.2 Cc1cc(nc(n1)N)c2ccc3c4c2cccc4COC3
InChIInChI1.03 InChI=1S/C17H15N3O/c1-10-7-15(20-17(18)19-10)13-6-5-12-9-21-8-11-3-2-4-14(13)16(11)12/h2-7H,8-9H2,1H3,(H2,18,19,20)
InChIKeyInChI1.03 RUGFWNOTXBMCJB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1834093
PubChem 21846414
ChEMBL CHEMBL1834093