U72
Summary
Name: | 2-methyl-1,2,6,7-tetrahydro-3H,5H-pyrido[3,2,1-ij]quinazolin-3-imine |
Synonyms: | 3-methyl-1,3-diazatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-trien-2-imine |
Formula: | C12 H15 N3 |
Formal charge: | 0 |
Formula weight: | 201.268 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 3-methyl-1,3-diazatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-trien-2-imine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C12H15N3/c1-14-8-10-5-2-4-9-6-3-7-15(11(9)10)12(14)13/h2,4-5,13H,3,6-8H2,1H3/b13-12+ |
InChIKey | InChI | 1.03 | STPBYFBWXRKLRN-OUKQBFOZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1Cc2cccc3CCCN(C1=N)c23 |
SMILES | CACTVS | 3.385 | CN1Cc2cccc3CCCN(C1=N)c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C/1\N(Cc2cccc3c2N1CCC3)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1Cc2cccc3c2N(C1=N)CCC3 |