9IS
Summary
Name: | ~{N}-[4-(4-methoxyphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
Formula: | C19 H16 N4 O2 |
Formal charge: | 0 |
Formula weight: | 332.356 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | ~{N}-[4-(4-methoxyphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H16N4O2/c1-24-14-6-8-16(9-7-14)25-15-4-2-13(3-5-15)23-19-17-10-11-20-18(17)21-12-22-19/h2-12H,1H3,(H2,20,21,22,23) |
InChIKey | InChI | 1.06 | BDYNACMDWPBSRV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3 |